data_2lpj_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 2lpj _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 ' 8' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 66' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.04 -4.25 8.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.798 2.332 . . . . 0.0 113.735 -175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.532 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.3 m95 -95.58 7.24 46.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.582 0.229 . . . . 0.0 110.829 -177.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.6 p -63.04 -36.04 82.25 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.018 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -126.92 130.86 23.71 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.365 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 20.1 Cg_endo -60.67 -33.99 92.63 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.505 2.136 . . . . 0.0 112.101 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.63 -35.89 44.98 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.079 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.06 -41.0 91.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 20' ' ' MET . . . -57.14 -44.72 83.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.86 -56.21 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.353 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -43.98 78.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.983 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.6 -53.08 57.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.492 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.541 ' CE ' ' HA ' ' A' ' 45' ' ' ALA . 53.6 mtp -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.165 -174.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.64 -54.5 45.73 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.737 0.303 . . . . 0.0 111.018 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 m -60.02 -34.79 73.84 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.097 0.475 . . . . 0.0 110.406 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.83 -58.5 8.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.045 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.52 -30.94 71.76 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.438 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.14 -50.97 43.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 0.0 110.978 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.8 -37.47 84.14 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.735 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.74 -30.93 71.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -61.87 -26.37 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -90.68 -6.16 54.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.1 mtt -93.02 152.17 41.17 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.398 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.0 178.52 6.78 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.624 2.216 . . . . 0.0 112.447 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.8 -39.44 3.11 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -100.15 155.52 17.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.12 0.486 . . . . 0.0 111.587 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.441 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -115.18 155.89 26.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.6 63.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -62.29 -30.45 71.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.441 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 19.4 mp0 -82.42 -36.76 26.35 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.4 -30.23 71.27 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.937 0.398 . . . . 0.0 109.945 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.71 -39.86 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.716 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.19 -38.56 31.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.1 mtt -60.15 -31.35 70.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.337 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 t -60.12 -41.93 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.623 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 92.8 m -67.21 -41.39 85.87 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.716 176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.09 -41.8 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.0 109.918 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HA ' ' CE ' ' A' ' 20' ' ' MET . . . -61.28 -52.79 63.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.78 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.31 -33.75 76.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.098 -177.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -70.16 -51.8 28.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.886 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.405 ' HE3' ' HB3' ' A' ' 69' ' ' LEU . 85.5 mmm -60.57 -46.15 91.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.139 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.9 t -58.19 -51.87 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.46 -35.6 79.81 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -60.32 -49.28 78.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.954 0.407 . . . . 0.0 110.234 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.27 -32.0 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' ' 13' ' ' PRO . 69.2 mm-40 -56.42 -53.94 51.51 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.849 0.356 . . . . 0.0 110.513 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 t -67.38 -38.32 84.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.749 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.289 -178.299 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 N--CA 1.46 0.045 0 CA-C-O 121.024 0.44 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.64 -37.56 79.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.532 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -64.3 -36.53 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.435 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.63 12.13 13.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.351 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.61 -45.29 2.51 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.195 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HB3' ' HE3' ' A' ' 48' ' ' MET . 79.8 mt -63.68 -27.45 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -65.55 -34.44 78.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.4 ptp -91.32 -17.12 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.323 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -57.46 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -71.0 -21.16 62.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.028 0.442 . . . . 0.0 110.327 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.44 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.253 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -71.13 -40.02 71.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.749 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -74.25 -22.34 59.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.9 mtm -86.87 -23.55 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.188 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.89 -26.58 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.672 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.1 mt -83.62 -37.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.403 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.75 -32.3 73.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.657 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.194 178.431 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.407 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 10.1 tt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.874 0.368 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 m -58.72 -28.9 66.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 m -86.66 -17.13 34.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.51 0.671 . . . . 0.0 110.776 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.2 mmtm -75.88 -57.32 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.39 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.8 p -66.21 -33.84 76.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.247 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 p -66.48 -39.04 88.54 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 120.988 0.423 . . . . 0.0 111.168 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -69.6 -44.4 70.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.108 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.39 -46.33 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.531 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.71 -46.8 83.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.52 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -72.94 -37.59 67.1 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.2 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.45 92.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.223 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.457 ' HE2' HG12 ' A' ' 117' ' ' ILE . 32.7 mtm -66.09 -40.36 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.416 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -59.13 -54.59 45.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.501 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.0 t30 -62.25 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.007 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.28 71.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -24.69 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.0 111.553 -175.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.553 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 38.7 mt -69.02 -30.26 68.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -82.96 -26.06 31.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.655 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.7 p -88.44 -59.65 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.167 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.3 t -119.97 -8.79 9.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.771 0.32 . . . . 0.0 111.27 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.53 63.15 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.239 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.4 t -120.15 135.05 61.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.553 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 18.6 t -105.21 145.42 13.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.849 0.357 . . . . 0.0 110.792 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.19 94.78 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.058 0.456 . . . . 0.0 109.833 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.474 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.9 tp60 -63.23 -48.19 83.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.223 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.0 Cg_exo -50.18 -43.31 43.54 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 122.047 1.831 . . . . 0.0 112.169 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 120' ' ' ILE . 37.9 t80 -57.71 -50.4 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.136 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.457 HG12 ' HE2' ' A' ' 101' ' ' MET . 80.6 mt -61.39 -38.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.757 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 79.1 m-20 -69.44 -43.97 72.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.012 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.35 -46.94 85.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 124' ' ' VAL . 32.9 mm -61.39 -47.54 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.6 p -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.318 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.757 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.1 mm-40 -69.97 -49.0 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.35 -53.03 62.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.373 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.2 t -56.14 -49.55 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.292 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -34.68 76.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -53.21 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.54 -177.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.58 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.517 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 111.428 -178.631 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.227 -0.094 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.72 -12.54 22.13 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.278 1.985 . . . . 0.0 112.129 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.484 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.9 m95 -93.05 1.46 57.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.3 p -69.63 -20.67 63.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.182 0.515 . . . . 0.0 111.255 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -143.53 123.83 7.81 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.523 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.74 -41.87 66.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.94 2.427 . . . . 0.0 112.449 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -33.25 84.67 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.799 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.56 -43.79 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.846 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.14 -53.09 62.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.672 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HB3' HG21 ' A' ' 108' ' ' THR . 8.3 m-80 -60.01 -39.31 85.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.289 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.62 -50.87 70.83 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.508 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.3 mmt -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.379 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -47.54 84.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -67.96 -43.31 79.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.34 -57.49 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.262 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -59.02 -41.35 87.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.6 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.9 -52.71 63.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.379 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.75 -38.17 85.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.608 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.16 -35.1 80.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -65.57 -13.77 59.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.0 t -101.43 -8.76 21.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.793 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.8 mtt -87.03 149.23 47.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.943 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 160.09 40.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.748 2.299 . . . . 0.0 113.005 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.42 -29.84 10.84 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.389 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -101.73 155.8 17.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 111.551 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.18 162.83 15.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.243 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -41.09 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -38.83 75.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.863 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 69.8 mt-30 -76.04 -40.22 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.24 -30.59 70.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.99 -33.79 76.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.76 -39.61 61.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.157 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.4 mtt -60.43 -32.02 70.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.404 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -59.69 -39.7 85.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 109.852 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.433 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 98.8 m -69.71 -40.27 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.738 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.46 -43.95 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.064 0.459 . . . . 0.0 109.992 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.02 73.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.048 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 43' ' ' THR . 2.8 pt20 -70.47 -29.68 66.29 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.447 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -74.75 -46.99 33.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.4 mmm -61.13 -44.25 97.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.255 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.9 -48.42 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.166 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.5 -35.05 79.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -66.79 -22.71 66.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.096 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.21 -30.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.263 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.12 -56.2 20.38 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -69.81 -25.84 63.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.78 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.22 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.3 m120 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.83 0.348 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.4 mmmt -64.02 -46.0 86.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -58.28 -28.23 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.21 -44.29 13.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.853 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.91 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.0 110.731 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.0 mt -70.0 -34.78 73.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.172 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -76.36 -22.44 54.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.406 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.1 mmt -67.81 -46.85 70.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.227 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.11 -60.69 3.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.275 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.474 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.5 p90 -67.05 -30.77 70.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.901 -174.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.3 78.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.79 0.328 . . . . 0.0 110.529 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -67.4 -43.9 80.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.885 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -65.75 -41.37 92.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.4 mtm -68.4 -29.11 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.378 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.17 97.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.49 -47.37 86.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.16 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 64.7 mt -60.39 -46.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.777 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.56 -41.37 73.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.802 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.54 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.543 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 5.9 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.682 0.277 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -59.78 -31.2 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.779 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -96.41 -13.33 23.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.524 0.678 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.543 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 10.5 mmmm -77.47 -37.75 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.385 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 p -82.57 -32.0 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 p -68.49 -50.46 52.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.436 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.7 mt -48.22 -49.74 12.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.277 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 121' ' ' THR . . . -57.02 -44.9 83.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -73.82 -38.97 64.39 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.114 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.63 85.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.916 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.5 ' HE1' HG12 ' A' ' 117' ' ' ILE . 30.5 mtm -67.08 -43.28 82.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.179 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 t -56.03 -45.12 79.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.242 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 24.7 t30 -67.22 -39.76 86.3 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.51 87.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.407 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -60.33 -41.75 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.079 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.56 -26.43 64.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.7 mm-40 -84.32 -16.27 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 18' ' ' ASN . 23.9 p -111.27 -57.21 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 t -114.95 -12.58 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.996 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 10.3 83.71 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.004 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -144.66 134.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.57 137.04 35.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.758 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -97.2 95.38 7.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.498 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.4 tp60 -62.91 -49.1 83.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.137 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.0 Cg_exo -52.66 -42.81 60.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 121.974 1.783 . . . . 0.0 112.545 176.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' ' 120' ' ' ILE . 59.5 t80 -56.46 -50.28 72.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.742 176.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.5 HG12 ' HE1' ' A' ' 101' ' ' MET . 76.2 mt -65.96 -38.66 82.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.076 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.52 -46.01 91.71 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.5 tp10 -60.31 -44.83 95.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.139 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.5 mm -59.44 -48.39 87.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.427 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 34.0 p -58.87 -33.18 70.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 126' ' ' MET . 12.3 pt20 -88.93 -21.84 23.38 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.505 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 69.6 mt -68.43 -53.28 24.7 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.2 -45.98 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 m -62.44 -39.2 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.964 0.412 . . . . 0.0 110.965 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -71.07 -44.9 64.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -176.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.55 -29.19 64.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.133 -179.781 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.35 -9.1 14.18 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.827 2.352 . . . . 0.0 113.858 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.559 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 7.6 m95 -95.77 4.48 52.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.566 0.222 . . . . 0.0 111.092 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -69.52 -23.94 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.029 0.442 . . . . 0.0 111.264 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -138.16 127.74 14.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.254 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.91 -35.12 69.54 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.088 2.525 . . . . 0.0 112.806 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.06 37.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.822 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.36 -40.01 92.71 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.291 0.091 . . . . 0.0 110.853 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.71 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.325 0.391 . . . . 0.0 111.055 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.45 -50.54 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.321 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 108' ' ' THR . 27.1 m-80 -62.0 -43.7 98.28 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.52 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.8 -49.64 76.92 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.505 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.489 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 12.1 mmt -58.95 -49.6 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.483 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -65.41 -31.73 72.99 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.791 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.32 -56.72 8.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.436 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.8 ppp? -63.64 -37.62 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.522 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 13.1 mm100 -68.07 -46.96 69.6 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.746 0.307 . . . . 0.0 111.273 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.73 -40.47 93.87 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.345 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.9 -35.04 79.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.687 0.279 . . . . 0.0 111.071 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.2 m -65.73 -16.16 63.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -92.45 -10.13 39.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.529 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.1 mtt -96.62 154.11 38.57 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.458 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.93 154.71 19.84 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.725 2.283 . . . . 0.0 112.428 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.47 6.36 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.431 172.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.93 178.07 4.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.195 0.521 . . . . 0.0 111.351 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.413 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 1.4 m -131.98 159.44 38.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 176.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.07 69.58 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -59.57 -45.33 92.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.4 mp0 -72.42 -34.35 67.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.95 -30.11 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.526 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.08 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.526 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -72.8 -36.29 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mtt -60.41 -24.2 64.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.663 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 t -62.61 -32.48 73.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 0.0 109.985 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -65.93 -43.19 88.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.156 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.76 -42.23 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.379 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -59.11 -27.98 66.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.314 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -91.51 -52.52 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -57.34 -50.26 73.52 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.366 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.8 mmm -58.32 -41.37 84.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.742 0.306 . . . . 0.0 111.112 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.604 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.9 t -62.79 -44.1 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.614 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -63.45 -39.02 93.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.257 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.767 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.87 -33.5 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.258 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.75 -50.66 72.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.178 0.513 . . . . 0.0 109.875 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -66.91 -27.19 67.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.995 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.8 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.71 -179.399 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m120 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.767 0.318 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -69.25 -33.77 73.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.286 0.565 . . . . 0.0 110.081 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.559 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -66.97 -25.03 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.403 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -90.11 8.04 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.81 -38.46 3.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.479 173.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.8 -24.61 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -67.84 -38.04 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.4 ptp -85.51 -16.92 37.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 110.364 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.42 -60.01 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.184 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -69.64 -28.18 65.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.321 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.63 80.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.99 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t -65.58 -46.28 80.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.293 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.526 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mtp -61.37 -36.84 81.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB3' ' N ' ' A' ' 128' ' ' ALA . . . -60.85 -44.24 97.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.372 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.13 -27.67 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 78.8 mt -78.01 -40.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.5 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.014 0.435 . . . . 0.0 111.526 -179.63 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 m -54.55 -41.85 70.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.647 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 m -82.27 -26.83 32.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.48 ' HB2' HD22 ' A' ' 90' ' ' LEU . 46.1 mmtm -61.54 -55.88 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 p -63.94 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.782 -173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m -66.09 -46.0 79.21 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.382 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 p -71.78 -43.76 65.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.46 -48.3 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.994 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.66 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.312 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -78.5 -36.77 44.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.233 -173.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.89 85.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.0 mtm -70.35 -37.2 74.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 0.0 110.24 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.338 0.59 . . . . 0.0 109.585 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.2 t30 -61.57 -39.88 92.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.905 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.67 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.75 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -70.14 -26.24 63.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 64.5 mt -78.41 -28.78 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.1 mm-40 -78.94 -23.19 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.754 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.5 p -93.19 -68.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 t -111.44 -32.74 6.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.904 0.383 . . . . 0.0 111.017 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.77 -7.04 38.34 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.531 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.15 125.68 70.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.408 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 21.6 t -99.78 138.53 23.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.472 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -97.24 98.13 9.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.076 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.489 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.0 tp60 -62.5 -49.3 84.02 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.962 -177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.9 Cg_exo -49.64 -46.26 27.82 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.118 1.879 . . . . 0.0 112.326 174.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.43 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.8 t80 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.251 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 70.9 mt -64.84 -37.33 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.078 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.65 -46.32 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.88 -53.78 54.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.09 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.5 mm -58.56 -47.84 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.788 -177.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.9 p -63.96 -28.57 69.91 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.496 -176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -78.85 -36.01 43.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.803 0.335 . . . . 0.0 110.158 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.0 -52.09 64.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.745 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 120' ' ' ILE . 90.2 t -55.63 -44.59 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.792 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.6 t -57.66 -40.64 79.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.1 tpp -75.33 -47.88 25.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.205 -174.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -69.56 -30.57 68.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.45 ' N ' ' HB3' ' A' ' 78' ' ' ALA . . . . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.415 HG21 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' HG21 ' A' ' 8' ' ' THR . 49.3 Cg_endo -69.0 -10.3 28.77 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.477 2.118 . . . . 0.0 113.81 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -89.9 2.4 55.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 0.0 110.746 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.507 HG23 HD21 ' A' ' 12' ' ' ASN . 9.0 t -64.53 -23.82 67.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -177.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.507 HD21 HG23 ' A' ' 11' ' ' THR . 49.6 m-80 -139.19 127.77 13.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.89 -41.07 65.16 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.612 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.06 -40.69 95.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.945 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -67.42 -39.25 85.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.042 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.71 -45.87 88.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.42 -40.46 97.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.9 -49.35 73.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.455 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.52 -48.33 82.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.606 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -59.12 -47.63 84.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.246 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 m -63.2 -35.98 82.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.036 0.446 . . . . 0.0 110.532 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 58.3 t80 -64.61 -55.83 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.011 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.491 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 76.4 mm-40 -70.25 -49.35 50.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.844 0.354 . . . . 0.0 110.354 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.56 82.4 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 22.4 tp -73.62 -27.28 61.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' HD11 ' A' ' 38' ' ' LEU . 19.9 t -70.76 -13.48 62.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.382 0.61 . . . . 0.0 109.617 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -91.64 -9.77 42.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.143 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.409 ' CB ' ' HB3' ' A' ' 96' ' ' SER . 19.9 mmt -89.74 155.43 47.97 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.85 -178.28 4.06 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.8 2.333 . . . . 0.0 112.054 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 -40.08 3.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 113.197 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -86.53 150.96 23.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 111.285 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -107.08 161.54 14.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.146 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.77 81.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 111.549 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -57.95 -36.24 72.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.26 0.552 . . . . 0.0 110.818 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -76.92 -42.51 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.756 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 28' ' ' SER . 97.7 mt -65.43 -30.15 70.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.461 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.38 -35.31 79.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.929 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -78.73 -24.53 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.477 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.3 mmt -60.14 -29.16 68.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 110.488 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -65.56 -26.83 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.194 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -59.91 -51.83 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 109.739 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.85 -36.91 78.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.58 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.434 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -103.61 -58.8 1.82 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -56.27 -47.86 77.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.276 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 88.8 mmm -60.65 -51.95 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 111.227 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.94 -50.17 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.268 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -29.23 68.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.67 -176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.04 -37.65 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.5 -34.92 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -59.95 -47.19 86.82 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -73.65 -8.79 57.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.749 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.631 0.253 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -65.63 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.941 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.92 -17.83 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.55 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.52 7.24 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -109.94 -42.42 4.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.109 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' MET . 80.5 mt -69.6 -20.59 63.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.645 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -71.31 -31.19 67.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.559 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.1 mtm -86.18 -30.5 22.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.105 0.479 . . . . 0.0 109.935 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.16 -55.59 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.013 -175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.477 ' O ' ' HG3' ' A' ' 77' ' ' MET . 5.0 p90 -76.26 -22.71 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.06 -36.67 69.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.959 0.409 . . . . 0.0 110.591 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -67.06 -36.57 82.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.758 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -35.77 53.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.111 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 50.6 mtm -68.22 -28.64 67.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.556 0.217 . . . . 0.0 110.789 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.16 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.71 -32.69 74.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.4 mt -77.05 -40.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.23 80.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.514 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.094 0.473 . . . . 0.0 111.851 -178.425 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -61.86 -34.78 76.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -72.1 -38.12 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -66.27 -52.03 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.975 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 p -59.64 -41.31 90.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 p -69.11 -36.72 77.82 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 120.976 0.417 . . . . 0.0 110.924 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.409 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 57.6 m -67.14 -43.58 82.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.28 -49.5 79.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.07 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.183 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 m -71.22 -39.49 71.69 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.07 81.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.221 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.533 ' HE1' HG12 ' A' ' 117' ' ' ILE . 26.0 mtm -64.36 -41.95 96.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.299 . . . . 0.0 110.33 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -57.05 -50.69 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -64.1 -37.72 88.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.876 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.94 91.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.276 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 35.5 m-85 -60.47 -38.96 85.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.66 -16.84 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.569 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.1 mm-40 -98.37 -2.04 40.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 p -118.96 -59.52 1.85 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -118.09 -9.07 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.348 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.97 8.66 86.34 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.148 173.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 6.7 p -140.58 135.57 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.135 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.0 t -101.6 127.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.455 ' O ' HG13 ' A' ' 117' ' ' ILE . 50.7 t-20 -85.38 86.45 7.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 20.5 tp60 -60.59 -51.61 78.59 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.151 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.0 Cg_endo -52.49 -40.06 72.79 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.325 2.017 . . . . 0.0 112.464 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 120' ' ' ILE . 51.7 t80 -58.2 -44.26 88.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 110.871 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.533 HG12 ' HE1' ' A' ' 101' ' ' MET . 63.8 mt -71.66 -33.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.75 -9.04 58.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.955 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.66 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.054 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 116' ' ' PHE . 39.1 mm -54.66 -39.8 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.672 -177.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.4 p -58.82 -26.36 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -78.34 -50.84 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.925 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.15 -51.91 55.08 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 120' ' ' ILE . 60.3 t -57.26 -44.14 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.9 m -67.54 -45.59 75.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -51.06 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.19 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.73 -31.17 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.642 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 -179.575 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.15 -13.31 39.22 Favored 'Trans proline' 0 N--CA 1.471 0.203 0 C-N-CA 122.194 1.929 . . . . 0.0 112.844 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.444 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.8 m95 -102.94 12.13 36.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.964 -176.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.4 p -63.01 -33.36 75.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.493 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -139.36 131.55 15.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.054 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.58 -42.03 71.92 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.954 2.436 . . . . 0.0 113.017 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.57 -42.3 72.95 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.97 -42.53 94.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.98 -48.36 80.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.893 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -54.57 -50.67 67.41 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.941 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -63.37 -47.08 83.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.671 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.12 -51.86 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.47 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 96.4 mmm -62.58 -38.0 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.688 -173.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -76.03 -41.87 49.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.348 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -63.04 -38.81 92.66 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.001 0.429 . . . . 0.0 110.304 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.31 -52.29 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.5 ttm -57.26 -54.55 45.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.317 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.34 -45.15 92.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.91 -31.79 79.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.618 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -73.07 -30.48 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.692 0.282 . . . . 0.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -67.29 -18.4 65.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.282 0.563 . . . . 0.0 110.0 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -91.94 -5.11 53.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.504 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 mtt -99.71 146.43 31.82 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.267 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.64 158.7 54.59 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.835 2.356 . . . . 0.0 112.774 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.67 -34.12 5.94 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.11 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 70.5 m-85 -101.54 176.56 5.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.65 162.94 40.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.38 -39.63 64.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -57.58 -44.61 85.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.319 0.581 . . . . 0.0 110.693 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.83 -37.48 73.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.274 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 4.4 mm? -70.09 -26.4 63.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.472 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.22 -42.86 96.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD2' HD13 ' A' ' 80' ' ' ILE . 24.9 t70 -72.41 -34.4 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 109.967 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.7 mtt -62.45 -29.23 70.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 173.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -65.14 -42.09 94.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 85.0 m -59.2 -50.04 75.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.525 174.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 40' ' ' ASP . 64.6 mt -55.29 -53.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.474 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -53.01 -53.11 54.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.166 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.534 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 62.5 tt0 -62.59 -48.95 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.658 -177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 t -60.44 -47.39 86.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.0 mmm -60.89 -46.76 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 0.0 111.278 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 45' ' ' ALA . 97.9 t -58.0 -51.22 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.534 ' NE2' ' HG2' ' A' ' 46' ' ' GLN . 49.4 mt-30 -59.06 -41.6 88.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.325 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -59.52 -35.08 73.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.14 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.0 -32.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.6 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 79.5 mm-40 -55.04 -53.17 59.22 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.374 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -72.16 -30.96 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.561 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.569 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.926 0.394 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 -175.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -61.08 -35.25 76.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.239 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.405 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 2.0 mp0 -77.89 -38.48 45.72 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.494 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.65 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -84.67 -33.39 23.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.862 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 28.6 p30 -75.32 -28.26 59.59 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.577 -174.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -82.37 -25.58 33.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 109.821 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.71 -56.97 9.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.428 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.494 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.7 p90 -69.6 -27.76 65.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.224 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.9 79.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.607 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -63.42 -46.34 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 17.2 m -65.69 -40.84 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 40.5 mtm -69.65 -25.47 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.84 88.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.413 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 76' ' ' SER . 10.1 pt-20 -72.64 -29.8 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.125 0.488 . . . . 0.0 110.144 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.494 HD13 ' OD2' ' A' ' 40' ' ' ASP . 64.4 mt -70.85 -41.08 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.282 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.49 -27.65 69.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.905 175.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 111.267 179.215 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 m -55.67 -36.38 67.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.801 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 -25.75 53.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 19.6 mmtm -72.27 -51.03 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.6 p -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.986 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -59.16 -44.39 92.12 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.772 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 m -69.95 -44.62 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.796 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.3 mt -53.89 -47.51 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.156 0.503 . . . . 0.0 110.523 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.89 93.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.51 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -75.67 -38.66 58.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.315 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.62 95.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.339 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.402 ' HE3' HG12 ' A' ' 117' ' ' ILE . 25.6 mtm -67.57 -41.05 84.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 t -57.38 -51.03 71.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.6 t30 -61.18 -41.18 96.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.05 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.633 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.74 -41.07 97.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 111.236 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.8 -29.26 67.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.474 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -79.02 -26.18 43.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 111.091 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.2 p -96.59 -60.31 1.63 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.1 t -112.66 -20.18 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.55 -17.16 59.09 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.28 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.0 t -105.46 129.41 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -110.32 141.1 26.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.122 0.487 . . . . 0.0 110.572 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' O ' HG13 ' A' ' 117' ' ' ILE . 49.5 t-20 -101.38 96.94 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.173 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.43 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.5 tp60 -65.19 -45.92 72.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.024 -176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 88.5 Cg_exo -49.48 -47.13 23.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.056 1.837 . . . . 0.0 112.003 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 120' ' ' ILE . 42.6 t80 -55.57 -49.54 72.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.129 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 113' ' ' ASN . 79.2 mt -62.59 -40.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.205 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.68 -43.29 84.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.107 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 6.4 tp10 -58.79 -47.07 86.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.6 mm -62.49 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.333 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -62.33 -26.9 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.944 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -51.52 17.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 93.9 mt -56.93 -51.11 70.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.399 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -55.07 -46.45 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 t -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 0.0 110.345 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.4 tpp -75.17 -27.2 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.727 -173.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.72 -34.81 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.624 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.902 179.347 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.02 -20.3 71.21 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.651 2.234 . . . . 0.0 113.931 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.7 m95 -90.73 7.07 41.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 0.0 111.435 -174.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -68.44 -32.14 71.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 111.445 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -130.59 134.11 25.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.768 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.74 -41.92 42.84 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.822 2.348 . . . . 0.0 112.509 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.66 -36.76 83.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.684 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.74 -43.37 89.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.79 93.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.761 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.12 -48.64 77.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.485 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.64 -38.54 90.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.051 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -63.86 -53.5 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.2 mmt -59.7 -39.56 85.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.911 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.49 -50.43 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.321 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -64.47 -38.85 92.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 110.51 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.592 ' CE1' HD11 ' A' ' 27' ' ' LEU . 38.8 t80 -58.58 -52.17 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.75 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ttm -55.43 -54.89 38.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.468 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.58 -44.0 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.408 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.31 -40.59 87.23 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.128 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.592 HD11 ' CE1' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -70.46 -36.12 73.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.993 0.425 . . . . 0.0 109.976 -178.385 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -65.53 -10.79 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.936 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -98.42 -8.78 26.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.292 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 61.9 mtt -95.42 161.61 27.32 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -176.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 30' ' ' MET . 79.9 Cg_endo -79.96 179.56 6.13 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.447 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.24 2.18 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.125 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 96.1 m-85 -106.73 160.44 15.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.236 0.541 . . . . 0.0 111.437 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.96 157.0 21.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.214 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.31 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.157 0.503 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 23.3 p -64.28 -55.77 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.085 176.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.77 -30.98 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.282 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.4 -21.53 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.063 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 36' ' ' SER . 9.1 t70 -59.3 -43.39 92.61 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.211 0.529 . . . . 0.0 110.451 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' ' 44' ' ' ILE . 12.0 t70 -69.54 -42.4 74.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.767 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -61.84 -34.81 76.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 109.604 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.9 m -69.06 -43.11 75.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.577 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 40' ' ' ASP . 72.4 mt -60.27 -39.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.91 -23.75 61.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.399 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -92.12 -52.77 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.476 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 t -58.84 -46.59 87.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.896 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -49.05 77.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.082 -176.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.28 -42.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -56.49 -40.18 74.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -61.19 -42.12 98.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.39 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.76 -29.79 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -59.26 -46.89 87.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.9 0.381 . . . . 0.0 110.468 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -74.96 -33.87 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.778 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -76.97 -36.8 56.21 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -68.03 -33.59 74.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.933 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.53 -1.31 55.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.912 0.387 . . . . 0.0 111.434 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.16 -46.45 4.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.095 0.474 . . . . 0.0 110.284 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.22 -28.4 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.855 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.05 -34.09 77.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 mtm -88.63 -29.41 19.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.164 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.25 -57.01 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.828 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.437 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.2 p90 -73.17 -20.88 60.8 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 -177.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.1 -36.41 66.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -65.24 -41.55 94.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.2 m -68.17 -32.6 72.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 52.9 mtm -80.28 -24.14 40.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.799 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.35 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.339 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 1.3 pt-20 -66.64 -33.73 76.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.139 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.53 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 57.8 mt -71.27 -41.21 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.108 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.575 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.628 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.521 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 9.1 tt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.727 0.298 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 p -58.91 -27.38 65.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -93.52 -12.63 29.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.04 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 30.1 mmtm -77.95 -50.18 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.422 HG23 ' OG ' ' A' ' 125' ' ' SER . 23.9 p -71.43 -29.42 64.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.806 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 p -70.03 -38.31 75.84 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 111.357 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 p -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' A' ' 101' ' ' MET . 79.6 mt -52.99 -48.65 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.523 175.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.456 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.4 -48.29 81.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.498 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -68.08 -40.05 82.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.91 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.305 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 24.0 mtm -65.49 -39.59 92.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.818 0.342 . . . . 0.0 110.412 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.9 t -56.73 -52.78 63.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.463 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.3 t30 -64.86 -41.94 95.28 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.5 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.886 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -29.09 62.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 110.605 -176.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.11 -31.66 69.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.876 0.37 . . . . 0.0 110.945 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 16.9 mm-40 -76.07 -43.59 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.061 0.457 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -74.76 -58.98 2.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.809 -171.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.0 t -113.67 -13.11 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.028 0.442 . . . . 0.0 110.976 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.59 -28.18 10.66 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.068 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.2 t -104.68 138.3 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -118.82 142.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.809 0.338 . . . . 0.0 110.612 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -94.75 99.99 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.823 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.486 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.7 tp60 -64.62 -48.73 73.24 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.136 -177.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.6 Cg_exo -49.21 -45.66 28.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.261 1.974 . . . . 0.0 112.441 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.405 ' O ' HG12 ' A' ' 120' ' ' ILE . 57.4 t80 -55.06 -49.24 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.299 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 69.8 mt -66.29 -34.53 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -81.47 -7.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -92.23 -47.79 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.809 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.6 mm -58.8 -41.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.091 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.9 p -60.15 -28.69 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 111.364 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 126' ' ' MET . 83.9 mm-40 -79.73 -45.93 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.706 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.87 -52.82 63.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.256 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.26 -46.41 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.422 ' OG ' HG23 ' A' ' 94' ' ' THR . 22.3 m -64.12 -37.25 86.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.059 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -75.18 -47.71 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.006 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.07 -34.34 77.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.133 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.651 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 10' ' ' TRP . 2.5 p . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.4 15.96 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.539 2.159 . . . . 0.0 113.248 -175.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.464 ' HB2' HD23 ' A' ' 66' ' ' LEU . 13.1 m95 -107.3 3.57 25.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.47 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 p -62.54 -32.5 73.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 111.778 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -133.94 127.86 19.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.542 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.93 -45.65 39.45 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.498 2.132 . . . . 0.0 112.227 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.1 -36.17 92.91 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.45 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.53 -43.93 72.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.45 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.38 -51.12 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -64.11 -37.28 86.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.461 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.18 -49.84 75.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.884 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.429 ' O ' ' HG2' ' A' ' 24' ' ' MET . 17.7 mmt -63.26 -40.71 98.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.652 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -58.47 -51.6 69.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -66.58 -35.31 79.89 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.83 -58.56 7.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.316 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 6.4 ptp -58.32 -44.63 88.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.581 -175.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' N ' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-30 -71.25 -39.37 71.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.956 -174.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.25 -39.26 88.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.71 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 tp -70.38 -31.02 68.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.427 . . . . 0.0 110.666 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' HD11 ' A' ' 38' ' ' LEU . 29.9 t -70.15 -6.77 36.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.055 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 t -107.39 -9.87 15.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.345 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 45.5 mtt -91.71 150.28 40.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.089 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.69 170.78 18.69 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.03 -38.23 3.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.308 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.78 -178.32 3.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.066 0.46 . . . . 0.0 110.939 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.527 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -144.86 173.46 11.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.41 ' H ' HG21 ' A' ' 34' ' ' THR . . . -54.95 -37.0 65.92 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.67 -54.26 49.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.471 0.653 . . . . 0.0 110.846 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.519 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 23.3 mp0 -67.01 -36.24 81.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.975 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 34' ' ' THR . 73.8 mt -70.84 -28.72 64.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.38 -40.4 81.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.204 0.525 . . . . 0.0 109.75 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.98 -46.06 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.637 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -53.94 -41.3 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.423 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -60.17 -38.34 82.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.3 m -69.98 -42.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.41 -44.27 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.932 0.396 . . . . 0.0 110.023 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -54.21 -46.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.353 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.13 -52.61 54.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.571 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 t -60.93 -38.57 86.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.623 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.434 ' HE2' ' HB3' ' A' ' 69' ' ' LEU . 87.7 mmm -62.82 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.731 0.3 . . . . 0.0 110.45 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 45' ' ' ALA . 87.2 t -61.87 -48.07 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.197 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -56.4 -40.86 75.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.247 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -58.09 -49.08 78.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.8 -32.94 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -63.32 -52.0 63.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -65.16 -38.64 91.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.615 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.279 178.179 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.674 0.273 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -63.7 -26.79 68.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.741 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.464 HD23 ' HB2' ' A' ' 10' ' ' TRP . 25.0 mt -71.92 -24.28 61.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.57 11.08 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.41 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.9 -41.67 3.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.789 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HB3' ' HE2' ' A' ' 48' ' ' MET . 72.8 mt -62.93 -30.06 71.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.205 177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -72.75 -33.49 66.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.013 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ptp -85.36 -9.92 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.025 0.441 . . . . 0.0 110.504 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 -58.15 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.6 p90 -70.1 -28.73 65.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.731 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -33.23 75.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.621 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -67.4 -44.31 79.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.245 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.5 m -69.48 -40.88 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 41.7 mtm -65.57 -28.7 69.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.966 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.26 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.448 . . . . 0.0 110.872 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -73.79 -23.53 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.71 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.519 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 70.3 mt -81.15 -36.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.163 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.41 -29.0 67.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.27 178.065 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.8 tt . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -56.6 -44.29 80.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.845 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.836 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 43.7 mmtm -64.23 -58.78 5.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.3 p -68.99 -30.22 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.851 -173.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.4 t -60.76 -43.1 98.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -69.93 -41.1 75.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -55.96 -43.94 76.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.421 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.42 72.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.957 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -77.94 -32.26 51.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.91 91.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.243 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.416 ' HE2' HG12 ' A' ' 117' ' ' ILE . 28.2 mtm -69.97 -38.4 76.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.421 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.2 m -58.38 -52.68 64.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.297 0.57 . . . . 0.0 110.125 177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.7 t30 -59.21 -38.06 79.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.175 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.36 95.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.981 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.405 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -79.2 -17.84 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.951 0.405 . . . . 0.0 111.086 -175.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.541 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 24.1 mt -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.159 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 9.1 mm-40 -80.75 -28.35 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.988 0.423 . . . . 0.0 110.74 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 6.9 p -83.54 -60.06 2.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.209 -175.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 t -110.75 -38.24 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.793 0.33 . . . . 0.0 110.74 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.13 -11.69 34.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.297 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -117.95 127.87 75.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.541 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 14.7 t -100.85 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.421 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 48.9 t-20 -88.4 101.0 13.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.128 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.52 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.8 tp60 -64.07 -51.62 61.62 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.838 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.1 Cg_exo -51.81 -40.47 65.88 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 121.99 1.793 . . . . 0.0 112.581 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.5 -48.92 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.217 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.416 HG12 ' HE2' ' A' ' 101' ' ' MET . 54.7 mt -69.62 -38.85 77.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.663 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.29 -31.37 72.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.69 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -77.57 -53.67 7.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.408 ' O ' HG21 ' A' ' 124' ' ' VAL . 27.9 mm -54.84 -49.21 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.5 p -56.85 -37.16 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.847 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.55 -24.43 22.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.61 -42.45 74.36 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 120' ' ' ILE . 86.9 t -62.49 -44.98 99.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.882 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.2 t -58.89 -38.94 80.01 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.462 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -46.35 72.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.049 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -69.7 -24.64 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 179.586 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.62 -7.43 12.72 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.394 2.063 . . . . 0.0 112.24 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.462 ' HB2' HD12 ' A' ' 66' ' ' LEU . 6.4 m95 -95.4 2.6 54.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.861 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -72.63 -12.31 60.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.728 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -149.3 123.94 4.79 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.63 -36.86 82.64 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.095 2.53 . . . . 0.0 112.254 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.45 -37.67 69.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.875 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 mt -67.03 -47.31 71.78 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.99 76.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.017 0.437 . . . . 0.0 110.599 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.4 -56.5 21.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.802 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.435 ' HB3' HG21 ' A' ' 108' ' ' THR . 12.5 m-80 -62.3 -42.5 99.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.443 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.54 -52.39 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.919 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.0 mmt -61.5 -42.11 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.775 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -49.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.779 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -64.53 -40.2 95.18 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CE1' ' HG3' ' A' ' 101' ' ' MET . 59.6 t80 -59.75 -55.85 29.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.059 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.0 ttm -57.19 -47.97 79.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 15.9 mm-40 -66.58 -47.6 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.516 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -65.63 -33.0 84.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.16 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 tp -73.22 -36.68 66.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -62.17 -19.69 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.021 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -98.45 0.62 45.58 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.563 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 57.7 mtt -94.56 143.53 26.42 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.34 140.09 62.54 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.824 2.349 . . . . 0.0 112.362 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -28.98 6.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.101 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -107.11 129.42 54.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 0.0 111.603 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.05 159.23 15.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.214 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.78 -33.62 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -55.66 -38.15 69.21 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.065 0.459 . . . . 0.0 111.08 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.86 -44.15 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.88 -25.46 65.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.417 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.99 -42.78 99.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.575 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD2' HD13 ' A' ' 80' ' ' ILE . 18.8 t70 -78.26 -40.19 37.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.363 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.6 mtt -57.64 -28.31 63.58 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 111.612 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.2 m -69.41 -49.48 54.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.356 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.83 -47.25 86.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.918 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.47 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -50.85 -51.3 52.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.792 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.26 -47.68 63.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.582 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.534 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 33.1 t -61.08 -35.48 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.018 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.97 -46.4 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.994 -0.441 . . . . 0.0 110.076 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.514 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.9 t -60.77 -46.03 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.2 pt20 -61.11 -36.76 80.58 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.247 -176.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -65.25 -39.67 92.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.006 0.431 . . . . 0.0 110.212 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.25 -30.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.128 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 80.9 mm-40 -61.3 -58.16 9.39 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -61.46 -27.8 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.374 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.947 -178.75 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.957 0.408 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.2 mmmt -65.1 -41.85 94.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.104 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -72.9 -24.73 60.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -177.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -80.33 -25.88 39.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.561 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.9 -31.99 45.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.185 0.516 . . . . 0.0 110.427 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.2 mt -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.068 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -74.37 -25.93 59.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.439 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.6 mtm -88.04 -24.11 23.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 0.0 109.75 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.34 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.589 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.489 ' O ' ' HG3' ' A' ' 77' ' ' MET . 12.4 p90 -70.64 -30.43 67.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.485 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.83 95.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -65.64 -40.31 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.102 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -74.16 -29.13 61.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 39.7 mtm -76.78 -24.11 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.773 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.18 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.246 0.341 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.68 -35.82 79.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.473 HD13 ' OD2' ' A' ' 40' ' ' ASP . 58.5 mt -73.67 -41.16 55.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.771 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.864 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.451 177.381 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -47.9 -49.25 30.43 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.823 0.449 . . . . 0.0 112.133 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 m -83.2 -13.34 55.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.465 0.65 . . . . 0.0 111.086 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 3.1 mmmm -90.09 -46.92 8.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.617 -172.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.6 p -70.48 -35.18 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.977 0.418 . . . . 0.0 111.063 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -62.15 -38.7 90.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 p -75.74 -44.82 39.88 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -50.9 -53.04 15.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.875 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.28 79.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.898 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -76.41 -40.24 51.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.383 -174.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.42 92.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.15 0.5 . . . . 0.0 110.483 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.437 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 28.8 mtp -64.38 -41.34 96.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.06 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.0 t -61.93 -46.94 87.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.477 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.977 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.82 -42.5 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.051 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.195 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 84.5 mt -75.53 -29.65 59.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 23.9 mm-40 -77.54 -21.53 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.002 0.429 . . . . 0.0 110.729 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.435 HG21 ' HB3' ' A' ' 18' ' ' ASN . 16.2 p -98.76 -62.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -173.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.0 t -118.37 -20.38 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.754 -173.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.58 -2.1 53.17 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.629 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.3 p -133.76 134.54 56.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.975 0.416 . . . . 0.0 110.434 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.413 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 4.1 t -112.01 141.49 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.953 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -93.15 96.46 10.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.452 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.3 tp60 -67.6 -47.61 45.51 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.378 -175.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.3 Cg_exo -51.66 -43.66 49.36 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.993 1.795 . . . . 0.0 112.051 176.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.553 ' O ' HG12 ' A' ' 120' ' ' ILE . 61.5 t80 -52.01 -54.17 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.687 174.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.433 HG12 ' HE1' ' A' ' 101' ' ' MET . 75.5 mt -62.51 -41.21 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.488 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.446 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 89.8 m-20 -68.06 -24.28 65.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -91.33 -30.79 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.876 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 116' ' ' PHE . 26.5 mm -60.52 -45.55 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.548 177.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.9 p -59.76 -33.34 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 70.5 mt-30 -66.93 -50.43 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.425 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.42 -49.1 68.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.656 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 120' ' ' ILE . 86.3 t -54.36 -51.5 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.425 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.0 p -65.73 -38.01 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.316 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -44.77 82.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.351 0.119 . . . . 0.0 111.15 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -72.0 -28.36 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.64 0.257 . . . . 0.0 110.988 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 178.843 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.432 0.158 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.57 -16.85 43.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.377 2.052 . . . . 0.0 112.708 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.564 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.8 m95 -97.02 5.85 49.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -70.27 -12.5 61.63 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -151.21 126.42 4.78 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 52.2 Cg_exo -53.98 -33.46 72.78 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.021 2.48 . . . . 0.0 112.584 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.34 67.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.769 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -64.2 -40.01 95.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.48 85.41 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.301 0.376 . . . . 0.0 110.688 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -54.8 30.8 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -44.16 93.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.197 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.51 -49.59 77.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.579 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.427 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 10.7 mmt -61.83 -45.59 93.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -44.97 92.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.791 0.329 . . . . 0.0 111.358 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -64.77 -34.22 77.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.18 0.515 . . . . 0.0 110.482 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.72 -54.66 24.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.652 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.2 ptm -62.75 -38.55 90.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.945 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.82 -42.25 64.02 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.942 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -67.62 -41.64 89.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.956 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.12 -32.18 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 0.0 110.775 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.4 t -66.25 -20.54 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.547 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 t -93.0 -7.27 46.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.477 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.7 mtt -97.2 153.75 38.35 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.55 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.45 165.41 31.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.702 2.268 . . . . 0.0 112.673 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.62 -37.87 3.32 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.907 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 55.6 m-85 -97.95 130.46 44.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 111.999 -176.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.7 161.57 13.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.26 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.4 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -61.15 -38.57 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.755 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.16 -34.75 42.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.564 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.08 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.64 -44.53 96.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.407 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -73.88 -39.3 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.06 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.15 -39.85 69.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.067 0.46 . . . . 0.0 110.708 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -35.35 79.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.4 m -68.79 -41.75 78.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -64.12 -19.33 65.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.214 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 43' ' ' THR . 11.7 pt20 -98.47 -50.65 4.22 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.991 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.9 m -80.68 -29.39 36.56 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -172.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.19 -42.3 99.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.277 0.56 . . . . 0.0 109.619 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.554 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 50.5 t -62.24 -48.63 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.351 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 52.4 mt-30 -56.57 -37.57 70.77 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -60.36 -46.02 91.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.248 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.38 -34.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.447 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 39.8 mt-30 -61.41 -29.43 69.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 110.632 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -86.73 -44.39 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.182 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 tp . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.82 -177.654 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.671 0.272 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -69.0 -37.21 78.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 0.0 109.883 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.564 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.9 mm? -69.55 -16.23 63.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -97.6 -8.2 29.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -101.63 -42.65 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.168 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -23.84 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.994 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -72.76 -26.7 61.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.222 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 15.7 ptp -94.38 -23.1 17.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.71 -55.52 26.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.783 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.499 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.3 p90 -71.67 -27.61 63.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.314 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.55 77.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.631 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -66.02 -37.79 86.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -65.58 -38.17 88.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 48.6 mtm -76.57 -28.75 56.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.01 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.7 -43.92 80.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.65 -46.02 90.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.06 -41.06 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.857 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -67.24 -39.61 86.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.498 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.168 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 8.9 mp . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -53.29 -35.28 59.92 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.341 0.401 . . . . 0.0 111.28 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -91.37 -46.9 7.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.461 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.2 mptt -54.11 -60.65 3.04 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.8 p -60.38 -39.89 88.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.832 -170.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -61.28 -41.46 96.98 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 120.952 0.406 . . . . 0.0 111.203 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 m -68.34 -45.05 73.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.5 mt -53.46 -50.96 45.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 111.013 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.495 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -71.32 -37.88 71.73 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -173.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.21 87.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.9 mtm -67.44 -39.52 85.4 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.662 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -49.9 72.38 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.737 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.4 t30 -68.32 -38.74 81.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.469 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -50.17 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.88 -10.22 59.73 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.07 0.462 . . . . 0.0 111.28 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.45 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 51.7 mt -80.0 -24.98 40.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.358 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 30.0 mm-40 -81.7 -20.3 39.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.738 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.4 p -92.78 -63.57 1.21 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.021 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.3 t -114.23 -31.06 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.682 0.277 . . . . 0.0 111.21 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.93 -3.4 41.44 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.056 -1.068 . . . . 0.0 112.797 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.09 130.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.45 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 2.4 t -114.07 158.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.893 0.377 . . . . 0.0 110.272 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 46.4 t-20 -97.52 98.7 10.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.729 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.492 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.6 tp60 -64.93 -48.86 70.89 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.375 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.7 Cg_exo -52.64 -39.68 75.27 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.01 1.807 . . . . 0.0 112.074 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 54.9 t80 -55.86 -55.96 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.448 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.57 -40.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.877 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.12 -52.92 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.33 -36.24 82.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 116' ' ' PHE . 23.5 mm -59.83 -45.65 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.98 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.8 p -62.52 -25.41 68.02 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.809 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -71.12 -56.67 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.36 -49.69 60.97 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.395 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.7 t -56.51 -46.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.7 m -67.13 -39.9 86.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -49.94 64.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.661 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.55 -39.28 93.48 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 111.291 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.642 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.32 4.83 3.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.544 2.162 . . . . 0.0 112.515 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.434 ' HB2' HD11 ' A' ' 66' ' ' LEU . 15.8 m95 -106.78 7.11 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -71.08 -18.01 62.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.284 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -145.75 123.18 6.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.593 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.61 -35.61 77.95 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.072 2.515 . . . . 0.0 112.312 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.21 -37.73 95.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.765 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.44 -44.92 63.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.16 76.69 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.383 0.427 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.4 -52.81 62.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -61.42 -43.24 99.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.443 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.74 -51.73 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.946 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.552 ' O ' ' HG2' ' A' ' 24' ' ' MET . 10.9 mmt -59.4 -50.0 75.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -58.28 -37.83 75.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.367 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -75.01 -39.47 61.14 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.072 0.463 . . . . 0.0 110.539 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.485 ' CE1' HD13 ' A' ' 27' ' ' LEU . 31.1 t80 -60.63 -56.78 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.431 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 20' ' ' MET . 23.1 ptm -58.42 -44.23 89.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.471 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 14.3 mm-40 -72.85 -38.31 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.389 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 -35.5 74.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.752 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.485 HD13 ' CE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -70.25 -34.43 72.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 0.0 110.325 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.7 m -65.5 -17.12 64.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.159 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.5 t -91.64 -11.5 36.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.37 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.0 mtt -91.41 150.78 41.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.8 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.12 165.13 33.55 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.576 2.184 . . . . 0.0 112.553 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.84 -20.09 49.43 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.017 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 93' ' ' LYS . 82.3 m-85 -123.34 151.07 42.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.121 0.486 . . . . 0.0 111.029 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.459 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -112.81 160.35 18.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.636 171.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.84 47.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 111.234 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -62.15 -29.4 70.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 73.6 mt-30 -85.09 -43.56 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.24 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 34' ' ' THR . 1.1 mm? -66.69 -21.16 66.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.637 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.54 -46.27 80.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.623 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 44' ' ' ILE . 35.6 t70 -74.03 -36.87 64.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.247 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.5 mtt -59.4 -34.16 72.11 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -58.86 -45.48 90.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 109.861 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 93.9 m -67.54 -42.35 82.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.171 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ASP . 73.7 mt -57.76 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.45 73.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.187 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.622 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.26 -33.2 75.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -175.267 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 t -84.22 -34.35 23.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.561 0.219 . . . . 0.0 111.283 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.22 -45.9 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 0.0 109.974 -178.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.33 -45.2 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.171 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 63.2 mm-40 -64.0 -32.01 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -61.98 -40.87 97.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.205 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -77.53 -32.5 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.525 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -73.14 -25.0 60.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.884 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 -39.91 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.071 0.462 . . . . 0.0 110.702 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -71.85 -22.63 61.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.305 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.44 4.7 26.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.31 -34.13 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.072 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 85.8 mt -66.7 -27.83 67.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.008 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -66.8 -41.27 87.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.812 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -79.77 -20.25 46.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 110.316 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.79 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.096 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -70.29 -26.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.218 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.24 81.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.0 t -67.3 -30.29 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -70.96 -44.02 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.998 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 mtm -71.77 -24.22 61.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.74 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.73 72.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.188 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.12 -38.57 79.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.106 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 62.4 mt -74.79 -42.67 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.724 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.29 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.214 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 0.0 111.242 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.419 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.903 0.382 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -49.26 -52.01 30.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.022 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -67.93 -40.25 83.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.1 0.476 . . . . 0.0 110.814 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 6.1 mttt -58.61 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.507 -174.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.419 HG23 ' CD2' ' A' ' 90' ' ' LEU . 2.5 p -61.19 -40.75 95.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.707 0.289 . . . . 0.0 111.379 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 m -60.5 -44.23 96.2 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.6 m -68.77 -45.37 71.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.5 mt -56.63 -47.68 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.023 0.44 . . . . 0.0 110.829 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.62 76.9 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.621 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m -68.76 -38.55 80.17 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.49 86.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.282 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.59 -39.4 91.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.0 t -59.22 -47.41 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.489 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -66.77 -44.54 81.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.11 71.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.95 -176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.39 -16.87 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.961 0.41 . . . . 0.0 110.971 -175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 19.4 mt -73.91 -30.84 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.42 174.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.48 -37.72 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.176 0.512 . . . . 0.0 110.462 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.2 p -75.75 -60.36 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.478 -173.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 t -114.37 -30.26 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.209 -176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.27 -14.76 58.12 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.062 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 t -118.62 120.46 64.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.456 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 2.9 t -114.88 151.2 16.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.924 0.392 . . . . 0.0 110.763 -177.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.454 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 52.6 t-20 -92.35 104.44 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.058 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.415 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 27.5 tp60 -65.01 -54.61 33.02 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.978 -175.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.454 ' HG2' ' OD1' ' A' ' 113' ' ' ASN . 3.0 Cg_endo -51.43 -39.76 63.6 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.237 1.958 . . . . 0.0 112.517 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.495 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.0 t80 -53.53 -53.28 53.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.507 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.3 mt -59.81 -41.08 84.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.093 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.53 -49.37 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.075 0.464 . . . . 0.0 110.335 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 32.8 tt0 -58.71 -37.83 76.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 116' ' ' PHE . 22.0 mm -60.4 -51.47 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.121 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -60.71 -32.4 71.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.163 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.1 -39.5 65.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.621 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 85.7 mt -61.99 -51.88 66.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.286 175.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.4 t -54.75 -48.22 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.574 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.7 t -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -48.04 77.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -176.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.83 -36.62 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.322 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.61 2.68 1.46 Allowed 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.081 2.521 . . . . 0.0 113.104 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.486 ' HB2' HD21 ' A' ' 66' ' ' LEU . 8.2 m95 -93.5 1.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.614 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 p -59.76 -36.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -128.31 132.72 24.51 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.538 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.83 -32.22 96.78 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.48 2.12 . . . . 0.0 111.926 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.54 87.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.935 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.46 -38.44 91.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.435 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.08 -50.53 72.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.92 -48.97 79.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.942 -176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -58.89 -48.76 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.445 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 7.8 mmt -60.02 -43.88 94.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.17 -42.9 75.26 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.649 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -68.6 -37.09 79.53 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.819 0.342 . . . . 0.0 110.652 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 53.2 t80 -62.74 -52.56 62.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.253 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.2 ttm -54.87 -52.55 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.48 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.81 -44.6 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.057 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.99 -23.56 74.42 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.481 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.5 tp -78.46 -26.48 46.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.93 0.395 . . . . 0.0 110.016 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -73.38 -14.02 61.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.065 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -89.43 -3.39 58.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.445 ' HG3' HD12 ' A' ' 27' ' ' LEU . 21.7 mmt -91.22 147.41 35.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.32 -17.31 24.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.152 2.568 . . . . 0.0 113.036 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.48 82.74 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.553 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CE2' ' HD2' ' A' ' 93' ' ' LYS . 91.7 m-85 -114.1 157.44 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.096 0.474 . . . . 0.0 111.896 -173.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.46 154.69 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.85 51.61 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -60.57 -29.99 69.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -79.27 -33.45 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.219 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.7 -27.03 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.0 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.98 -37.78 88.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.54 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.62 -40.48 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.2 mtt -60.65 -21.13 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.02 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 t -60.46 -37.25 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 109.71 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.431 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 70.2 m -68.94 -43.54 74.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.571 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.32 -43.07 92.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.084 0.469 . . . . 0.0 109.953 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -57.26 -53.86 53.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.85 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.3 pt20 -64.75 -39.4 93.56 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.404 -175.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 t -63.13 -45.79 90.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.44 -43.07 95.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.779 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 45' ' ' ALA . 88.8 t -63.01 -53.3 48.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.207 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.46 -26.97 68.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 111.216 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -64.35 -33.23 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.88 -32.88 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -54.09 -46.28 72.03 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 p -74.01 -43.46 57.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.02 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.646 -176.745 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 47.8 mmtt -62.37 -44.27 96.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 10' ' ' TRP . 12.7 mt -69.01 -27.83 66.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -88.85 3.4 51.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.11 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.67 -42.29 3.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.508 . . . . 0.0 109.834 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.8 mt -65.36 -26.62 68.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.31 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -69.38 -35.71 76.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 110.918 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtm -85.29 -28.24 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.73 -58.6 7.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.89 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.485 ' O ' ' HG3' ' A' ' 77' ' ' MET . 17.2 p90 -67.61 -31.04 70.8 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.419 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.3 96.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.508 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.11 -41.11 97.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.388 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 m -65.21 -41.7 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.9 mtm -74.22 -24.81 59.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.046 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.03 80.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.797 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.09 -36.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.437 0.637 . . . . 0.0 110.124 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.13 -28.16 69.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.407 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.394 179.157 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.37 0.128 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.115 0.483 . . . . 0.0 110.48 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -79.95 -34.6 38.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.983 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 40.3 mmtm -54.1 -60.34 3.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.706 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 p -61.57 -40.58 95.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.418 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -35.07 77.75 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 m -70.9 -45.5 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.328 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.59 -50.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.209 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -55.26 -54.05 48.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.443 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -64.45 -39.09 93.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.256 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.69 -46.98 73.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 110.589 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.6 m -52.43 -53.28 47.34 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.546 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.7 t30 -64.7 -39.03 92.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.641 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.12 60.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -71.64 -17.27 62.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.977 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.19 -20.1 60.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.675 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.2 mm-40 -91.1 -29.42 17.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 34.8 p -78.12 -57.91 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.852 -175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.6 t -119.59 -23.46 6.57 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.384 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.38 -12.7 56.99 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.275 -0.964 . . . . 0.0 113.538 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.6 t -128.13 130.91 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.07 164.86 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 116' ' ' PHE . 2.5 m-80 -100.12 134.08 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.938 -175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.506 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 22.0 tp60 -66.13 -50.66 49.79 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.694 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 23.5 Cg_exo -64.29 -34.26 56.33 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.778 1.652 . . . . 0.0 112.276 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.449 ' O ' HG12 ' A' ' 120' ' ' ILE . 75.2 t80 -58.26 -55.53 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.548 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.3 mt -64.88 -37.02 79.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -175.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -66.13 -47.87 72.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.135 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.656 ' O ' HD21 ' A' ' 123' ' ' LEU . 2.7 tp10 -56.17 -51.45 67.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.17 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.8 mm -55.27 -47.73 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.5 p -59.91 -28.53 67.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 126' ' ' MET . 28.2 mt-30 -72.18 -49.8 32.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.656 HD21 ' O ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.8 -52.89 61.24 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.336 175.505 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 120' ' ' ILE . 92.0 t -52.32 -45.92 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 123.333 0.395 . . . . 0.0 111.063 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.9 m -65.1 -45.95 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.448 ' HE2' ' HA ' ' A' ' 126' ' ' MET . 32.3 mmt -61.95 -50.62 71.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.08 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.44 -31.94 73.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.457 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.521 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.09 -2.82 7.99 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.238 1.959 . . . . 0.0 112.387 174.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.544 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 13.2 m95 -102.9 1.8 34.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -3.51 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 111.463 -177.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.2 135.09 8.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.51 -33.2 29.71 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.285 -174.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.95 67.04 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.4 -38.14 84.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.983 -0.108 . . . . 0.0 110.743 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.69 -53.11 60.6 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.46 0.475 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.317 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -68.59 -43.87 75.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.687 0.28 . . . . 0.0 110.507 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.78 -51.42 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.39 174.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mmt -58.23 -44.69 88.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.904 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -65.96 -46.49 77.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.297 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -63.64 -37.36 87.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.244 0.545 . . . . 0.0 110.42 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.14 -56.81 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.573 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -61.91 -46.35 89.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.824 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -67.66 -36.21 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -74.76 -34.09 54.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.052 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -74.89 -30.67 61.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.932 0.396 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 t -64.82 -17.04 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -101.97 0.59 35.49 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.442 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 65.4 mtt -94.85 150.57 38.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.65 0.262 . . . . 0.0 110.787 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.97 167.99 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 123.01 2.473 . . . . 0.0 112.73 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 -43.52 2.49 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.466 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -91.45 150.68 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.243 0.545 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.419 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -111.83 156.69 21.6 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.22 -33.8 54.42 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -57.42 -43.75 84.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 17.8 mp0 -65.17 -38.9 91.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.22 -27.92 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.361 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.63 -41.03 93.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 109.697 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.69 -42.63 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.746 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 mtt -63.54 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.714 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.9 m -63.55 -42.9 98.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.503 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.55 -41.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.16 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.85 -17.63 63.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.222 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.54 -57.92 2.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 110.732 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 6.2 t -67.59 -35.41 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.779 -170.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' A' ' 69' ' ' LEU . 94.2 mmm -64.74 -43.61 92.81 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.257 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 70.8 t -67.18 -46.45 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.213 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.1 pt20 -59.86 -36.17 76.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 110.796 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -63.21 -39.26 94.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.206 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -80.0 -22.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.596 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.9 mm-40 -66.66 -49.7 65.33 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -66.71 -26.65 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.098 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.074 175.826 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.665 0.269 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.32 -41.3 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.0 110.364 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.2 mm? -70.41 -25.02 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.259 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -97.88 6.5 47.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.947 0.403 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.82 -47.2 3.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.252 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' HE2' ' A' ' 48' ' ' MET . 91.4 mt -64.27 -27.16 68.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.17 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.83 -29.26 23.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.65 -58.76 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.56 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.4 p90 -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.459 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.56 94.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.703 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 t -65.92 -41.46 91.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 m -66.97 -36.71 82.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.8 mtm -73.0 -28.97 62.69 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.811 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.45 -45.25 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.34 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.11 -37.14 86.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.497 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.75 -38.57 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -66.77 -35.63 80.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.501 -178.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 121.161 0.505 . . . . 0.0 111.497 -178.884 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.474 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 tm? . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -54.36 -42.93 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -71.32 -23.76 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.416 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 29.4 mmtm -66.36 -53.56 34.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.144 0.497 . . . . 0.0 110.315 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.5 p -64.29 -39.47 94.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.728 -173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.1 m -61.23 -39.95 92.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.902 0.382 . . . . 0.0 111.251 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -69.93 -45.28 67.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.2 mt -53.73 -44.87 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.809 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.28 -50.13 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.476 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -73.8 -36.63 65.02 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -173.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.22 84.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.7 mtm -68.32 -40.36 81.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t -62.28 -45.2 94.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.841 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -64.38 -36.34 83.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.928 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.43 93.98 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.613 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -65.29 -34.0 77.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.804 0.335 . . . . 0.0 111.433 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 82.5 mt -74.38 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.539 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.8 mm-40 -85.4 -31.14 23.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.53 176.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.1 p -88.31 -65.76 0.98 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.461 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.4 t -115.42 -18.03 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.68 0.276 . . . . 0.0 111.402 -175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.11 66.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.91 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.17 127.22 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.205 0.526 . . . . 0.0 110.661 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 117' ' ' ILE . 4.2 t -110.92 145.68 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.857 -176.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.493 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.9 t30 -104.39 108.22 19.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.3 tp60 -69.95 -47.91 22.06 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.526 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.493 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 76.4 Cg_exo -52.2 -32.91 52.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 122.145 1.897 . . . . 0.0 112.424 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.459 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.8 t80 -62.03 -50.58 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.547 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.443 HD11 ' CG1' ' A' ' 112' ' ' VAL . 58.0 mt -64.89 -41.38 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.594 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.92 -47.41 85.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.259 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 7.6 tp10 -55.48 -50.51 69.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.188 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.4 mm -61.48 -47.36 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.794 -176.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 28.0 p -59.1 -30.46 68.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.522 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.98 -47.93 19.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.911 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -55.79 -52.4 64.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.249 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.7 t -57.89 -45.06 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.004 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -63.38 -31.7 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.321 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.4 mmt -80.99 -49.78 10.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.054 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.44 -33.69 74.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.165 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 111.17 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 13.58 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.54 2.16 . . . . 0.0 113.399 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.496 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 26.8 m95 -108.77 9.91 26.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.796 0.332 . . . . 0.0 110.621 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -68.16 -33.45 74.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.111 0.481 . . . . 0.0 111.382 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -125.15 135.77 27.28 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.825 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.43 -41.31 77.52 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.432 2.088 . . . . 0.0 111.637 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.64 97.16 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.16 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.06 -38.14 85.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 122.526 -0.396 . . . . 0.0 110.657 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.119 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.09 -39.42 93.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.59 0.233 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.416 ' HB3' HG23 ' A' ' 108' ' ' THR . 82.4 m-20 -67.92 -44.71 76.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.796 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.97 -50.66 70.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.117 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.5 mmt -59.66 -47.37 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.827 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.78 -48.85 79.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.529 0.204 . . . . 0.0 111.171 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.36 -40.09 93.13 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.49 -52.74 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.243 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.506 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 43.0 ttp -56.81 -51.77 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.499 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -68.94 -40.47 78.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.173 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -36.33 91.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.892 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.29 -27.03 65.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.463 . . . . 0.0 110.6 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -69.13 -19.89 64.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -95.06 -5.27 44.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.648 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 20.1 mmt -84.62 143.33 40.91 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -178.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.32 149.75 45.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.217 1.945 . . . . 0.0 111.278 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.31 -28.82 10.97 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.55 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -100.42 169.56 9.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.486 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -137.37 159.71 41.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.089 -175.199 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -43.01 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 t -59.48 -32.67 70.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.389 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.414 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 2.9 mp0 -83.93 -29.37 27.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.298 0.57 . . . . 0.0 110.863 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 34' ' ' THR . 72.2 mt -72.75 -20.09 61.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.144 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.92 -48.92 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.428 176.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.77 -39.71 87.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.814 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -55.24 -39.87 70.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.506 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 10.3 t -62.68 -40.23 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -63.11 -46.01 89.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.619 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.18 -43.96 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.39 55.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.956 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -94.34 -51.66 4.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 111.187 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.506 ' HA ' HE21 ' A' ' 50' ' ' GLN . 48.3 t -58.88 -48.53 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.244 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.487 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.8 -45.9 81.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.0 110.597 -175.08 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.29 -23.76 27.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.045 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 47' ' ' SER . 37.8 mt-30 -58.65 -31.13 67.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.4 t -63.38 -49.86 72.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.48 -30.11 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.767 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -62.88 -46.66 86.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.226 0.536 . . . . 0.0 110.493 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -76.63 -41.54 45.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.153 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.114 -175.564 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.633 0.254 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.03 -32.64 74.26 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.145 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -67.31 -21.01 65.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.795 0.331 . . . . 0.0 111.047 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -101.27 5.76 42.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.61 -41.99 3.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.931 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 94.3 mt -65.63 -28.77 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.374 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -65.07 -39.82 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -83.04 -26.91 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.45 -60.77 3.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.77 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' O ' ' HG3' ' A' ' 77' ' ' MET . 11.9 p90 -70.38 -25.91 63.46 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.49 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.71 89.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -67.19 -37.34 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.376 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -67.92 -45.63 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.1 mtm -68.1 -24.89 65.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.209 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.518 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -67.75 -32.63 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.157 0.503 . . . . 0.0 109.921 -178.626 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.518 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 78.8 mt -69.1 -48.22 70.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.487 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.46 94.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.435 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.376 -178.306 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 17.7 mt . . . . . 0 C--O 1.235 0.32 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 t -54.83 -40.09 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.484 0.49 . . . . 0.0 111.183 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 m -99.73 -19.75 16.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.087 0.47 . . . . 0.0 110.908 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 90' ' ' LEU . 47.6 mmtm -64.02 -49.74 71.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.152 0.501 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -69.59 -40.93 76.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.694 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -60.63 -45.02 95.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.824 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -66.57 -41.18 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.74 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.8 mt -55.61 -53.67 34.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 120.968 0.414 . . . . 0.0 110.603 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.413 ' HB3' ' CG2' ' A' ' 121' ' ' THR . . . -54.66 -49.29 70.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -68.32 -40.79 81.52 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.33 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.6 mtm -66.05 -43.02 88.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.154 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -56.18 -46.49 79.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.223 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.566 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.2 t30 -68.48 -46.09 70.64 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.32 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -43.16 94.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 0.0 110.32 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.94 -36.0 77.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.239 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -76.78 -16.72 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.606 0.241 . . . . 0.0 111.64 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.416 HG23 ' HB3' ' A' ' 18' ' ' ASN . 21.8 p -100.71 -55.27 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.1 t -116.46 -17.06 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.421 . . . . 0.0 110.872 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.15 -17.64 58.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.91 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.61 136.23 47.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.6 p -117.33 146.9 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.829 0.347 . . . . 0.0 110.259 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.42 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.7 t-20 -106.03 104.29 13.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.271 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.502 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.1 tp60 -66.21 -50.09 51.77 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.227 -176.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 76.5 Cg_exo -52.01 -41.84 61.86 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.843 1.695 . . . . 0.0 112.256 174.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.46 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.5 t80 -56.38 -49.07 75.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.216 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.53 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.242 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.22 -40.74 86.42 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.171 0.51 . . . . 0.0 110.108 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 45.2 tt0 -60.96 -48.21 82.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.2 mm -59.83 -50.68 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.014 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 4.1 p -59.16 -36.64 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 111.241 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -72.67 -39.49 67.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.2 mt -59.76 -49.49 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.364 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 120' ' ' ILE . 88.2 t -58.25 -39.57 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 m -60.94 -48.85 79.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -45.06 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -70.03 -15.05 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 0.0 110.571 177.195 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.641 -0.133 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.05 -2.03 12.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.462 2.108 . . . . 0.0 113.164 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.475 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 18.4 m95 -98.05 6.09 47.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 p -66.83 -27.67 67.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.103 0.478 . . . . 0.0 111.876 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.97 130.68 17.65 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -56.08 -40.04 87.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.419 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.78 99.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.715 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 mt -66.27 -42.0 89.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.72 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.318 0.387 . . . . 0.0 110.714 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.48 -54.06 51.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.639 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' HB3' HG21 ' A' ' 108' ' ' THR . 17.9 m-80 -60.75 -44.25 96.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.301 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -58.84 -52.68 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.625 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 mmt -60.36 -48.77 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.87 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.33 93.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -177.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -67.46 -27.92 67.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.157 0.503 . . . . 0.0 110.578 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -69.56 -56.12 8.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.615 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.66 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.3 ppp? -66.97 -41.14 87.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.754 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 14.8 mm100 -71.25 -28.43 64.16 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.258 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -80.02 -38.74 18.28 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 27' ' ' LEU . 6.2 mt -63.76 -34.95 79.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.787 -0.706 . . . . 0.0 111.31 176.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.499 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 m -68.09 -11.11 58.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.183 0.516 . . . . 0.0 110.843 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -102.35 -5.31 24.33 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.571 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.6 mtt -100.26 145.21 29.86 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.506 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.7 153.12 69.59 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.338 2.025 . . . . 0.0 112.062 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.06 -28.88 10.37 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.461 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -108.5 129.13 55.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.148 0.499 . . . . 0.0 111.194 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.537 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -90.9 158.04 16.99 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.23 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -38.5 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 111.289 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -63.39 -23.59 67.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.502 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -85.27 -41.4 15.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.903 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -66.45 -28.32 68.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.225 176.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.5 -43.72 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.024 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.33 -38.22 63.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 mtt -59.71 -33.53 71.73 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.894 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 t -59.8 -39.47 85.08 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.072 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.7 m -63.66 -45.46 90.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.94 -46.96 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.484 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -51.93 -58.46 6.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.774 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -58.87 -48.17 82.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.025 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.622 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 9.5 t -65.34 -34.96 79.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.769 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.7 mmm -65.88 -44.17 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.972 0.415 . . . . 0.0 110.207 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 45' ' ' ALA . 63.5 t -64.75 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.046 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -62.5 -32.21 73.08 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.663 -175.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.94 -41.77 74.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.449 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.2 -32.07 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -63.62 -55.15 25.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 m -58.53 -38.67 78.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.177 0.513 . . . . 0.0 110.834 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.724 178.284 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.853 0.359 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 22.0 mmmt -62.46 -39.23 92.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.16 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.32 -25.69 67.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.248 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 3.51 33.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.896 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.58 -36.63 7.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 109.483 173.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 96.4 mt -61.3 -29.21 69.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.617 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -70.55 -26.4 63.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.0 mtm -86.08 -29.64 23.22 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.43 -54.55 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.749 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.9 p90 -71.68 -27.51 63.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.372 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.88 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.3 t -63.54 -39.94 95.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -71.11 -36.94 72.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.4 mtm -74.26 -22.92 59.1 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.876 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.53 77.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.93 -33.72 74.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.28 0.562 . . . . 0.0 110.691 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.44 -45.76 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.874 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.59 -28.69 67.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.325 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 111.301 178.283 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 CA--C 1.527 0.062 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -54.33 -46.33 72.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.016 0.436 . . . . 0.0 111.473 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -84.15 -14.17 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.396 0.617 . . . . 0.0 110.668 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -79.52 -61.05 2.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.281 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.0 p -63.11 -37.29 86.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.917 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -57.86 -42.12 83.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.451 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.1 m -73.5 -41.64 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.68 -50.51 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.095 0.474 . . . . 0.0 110.884 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.98 90.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.462 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.4 m -75.26 -36.88 61.18 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.229 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.04 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.138 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.442 ' HE1' HG12 ' A' ' 117' ' ' ILE . 32.1 mtm -66.28 -40.08 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.476 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.493 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 26.2 t -58.82 -51.5 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.9 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.42 -38.74 88.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.84 95.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.399 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.48 -43.94 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 102' ' ' SER . 81.0 mt -66.5 -26.97 67.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.374 -176.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -88.34 -20.36 25.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.639 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.441 HG21 ' HB3' ' A' ' 18' ' ' ASN . 12.0 p -90.86 -66.22 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.8 t -117.13 -2.98 11.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 0.0 110.257 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.44 -22.07 28.99 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.18 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 t -108.07 136.58 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.405 ' CG2' ' HA ' ' A' ' 102' ' ' SER . 14.2 p -108.61 150.97 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.353 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -104.25 95.58 6.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 0.0 110.072 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.5 tp60 -61.4 -50.2 84.17 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.036 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.0 Cg_endo -52.39 -39.58 73.11 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.34 2.027 . . . . 0.0 112.55 177.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.3 t80 -58.11 -50.37 73.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.442 HG12 ' HE1' ' A' ' 101' ' ' MET . 63.7 mt -64.1 -37.25 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.879 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 68.2 m-20 -65.18 -33.07 75.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.427 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.25 -44.04 54.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.5 mm -63.51 -39.6 85.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.555 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.9 p -61.63 -22.67 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.012 0.434 . . . . 0.0 111.286 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 126' ' ' MET . 61.0 mt-30 -81.06 -53.28 6.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.0 mt -53.03 -51.71 60.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.71 -44.51 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 0.0 110.691 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 m -69.43 -29.68 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 33.2 mmt -75.04 -47.78 27.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.715 0.293 . . . . 0.0 110.96 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -70.62 -29.75 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.811 178.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.392 0.139 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.87 -23.81 73.79 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.789 2.326 . . . . 0.0 113.036 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.4 m95 -84.56 4.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.503 -173.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -65.42 -26.9 68.18 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -135.06 134.12 21.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.16 -36.71 93.78 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.484 2.123 . . . . 0.0 111.984 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.41 93.24 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.231 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.57 -41.5 72.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.82 92.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.758 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.68 -49.13 78.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -63.03 -49.62 73.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.096 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -55.14 -54.98 36.3 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.862 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 mmt -57.11 -44.45 83.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.038 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -66.43 -49.9 65.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.047 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 m -62.7 -30.41 71.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.236 0.541 . . . . 0.0 110.613 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -69.22 -55.89 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.559 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -63.97 -39.27 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.68 -19.68 61.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.028 0.442 . . . . 0.0 111.588 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -90.64 -39.87 5.79 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mt -65.09 -34.11 77.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.892 -0.654 . . . . 0.0 111.93 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.12 -8.46 31.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.212 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -107.23 -5.11 18.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.526 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 55.3 mtt -97.22 145.22 29.25 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-O 120.667 0.27 . . . . 0.0 110.993 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.43 149.5 87.93 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.062 2.508 . . . . 0.0 112.863 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 109.62 -28.86 10.1 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.516 176.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -101.29 136.56 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.449 0.642 . . . . 0.0 111.641 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.457 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -102.14 161.18 13.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.69 63.39 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 118.152 0.433 . . . . 0.0 112.152 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -59.69 -40.48 88.02 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.957 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.457 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 15.8 mp0 -65.57 -46.85 77.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.92 -23.81 64.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.666 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.23 -46.64 85.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 110.233 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.466 ' OD2' HD13 ' A' ' 80' ' ' ILE . 23.2 t70 -72.26 -43.12 64.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.15 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 mtt -58.16 -36.38 72.93 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 90.2 m -62.28 -45.34 93.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.385 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' MET . 73.5 mt -59.08 -47.42 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -52.17 -51.61 56.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.11 -57.75 11.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.344 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -35.19 79.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.691 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.441 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.15 -48.02 72.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 97.3 t -59.39 -45.53 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.56 -37.64 70.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -63.45 -41.71 98.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.621 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.81 -30.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.368 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 30.8 mt-30 -60.92 -49.61 76.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.316 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -65.31 -37.83 88.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.083 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.1 178.772 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.771 0.32 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.5 mmmt -63.48 -42.49 98.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.1 mm? -66.21 -24.37 66.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.511 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 71' ' ' MET . 29.1 mm-40 -83.27 -35.8 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.651 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.62 -41.49 72.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.05 0.452 . . . . 0.0 110.236 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 90.4 mt -61.93 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.222 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 5.0 p30 -73.66 -23.61 59.87 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 35.9 mtm -84.27 -28.28 27.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.15 0.5 . . . . 0.0 110.001 176.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.4 55.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.715 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.484 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.7 p90 -74.16 -21.33 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 110.293 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.2 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.446 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 t -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.43 -43.6 76.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.972 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.2 mtm -68.6 -24.42 64.58 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.68 -0.237 . . . . 0.0 111.308 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.74 81.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.916 0.389 . . . . 0.0 111.294 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -77.45 -11.42 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.466 HD13 ' OD2' ' A' ' 40' ' ' ASP . 62.1 mt -86.94 -39.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 109.401 174.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.529 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -62.49 -28.59 69.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.088 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 179.523 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -60.82 -32.07 71.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -37.3 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.319 0.581 . . . . 0.0 110.028 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.3 mptt -71.39 -52.19 19.99 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -60.77 -41.69 95.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -62.0 -36.41 81.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.526 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 40.4 m -71.95 -43.98 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.302 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.7 -44.88 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.61 -47.36 82.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.373 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -72.38 -38.87 68.38 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.044 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.1 80.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 36.0 mtm -69.48 -35.76 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 112' ' ' VAL . 22.6 t -60.02 -42.5 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.229 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -33.28 55.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.356 178.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.61 81.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -3.2 54.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.21 0.528 . . . . 0.0 111.069 -174.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 mt -84.1 -15.26 47.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.094 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -92.82 -3.54 54.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.645 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.0 p -104.47 -73.27 0.68 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 111.966 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.0 t -109.57 -20.46 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.22 0.533 . . . . 0.0 110.128 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.15 6.62 53.51 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.669 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.43 138.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 102' ' ' SER . 2.4 t -119.13 153.01 21.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.529 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.481 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 59.3 t30 -95.69 107.28 19.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.216 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.442 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -64.97 -47.64 73.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.442 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 75.8 Cg_exo -51.47 -39.92 63.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.033 1.822 . . . . 0.0 112.016 175.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.554 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.6 t80 -56.37 -53.55 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.404 HD13 ' CG1' ' A' ' 112' ' ' VAL . 62.6 mt -61.14 -38.84 80.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -64.52 -52.12 59.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 12.2 tp10 -60.54 -36.96 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 116' ' ' PHE . 24.5 mm -63.19 -48.34 88.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.128 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 39.9 p -62.13 -29.44 70.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.185 0.516 . . . . 0.0 110.468 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -65.99 -58.12 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.879 175.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -54.82 -51.21 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.817 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 120' ' ' ILE . 93.4 t -55.62 -45.65 79.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.655 0.264 . . . . 0.0 111.306 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 m -67.07 -34.22 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.935 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.405 ' HA ' ' CE ' ' A' ' 126' ' ' MET . 0.0 OUTLIER -78.41 -48.39 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 -177.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.39 -39.62 93.83 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.327 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.494 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.433 ' HB ' HD11 ' A' ' 66' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.713 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD2' HG22 ' A' ' 8' ' ' THR . 29.7 Cg_exo -63.26 -4.15 6.09 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 122.82 2.346 . . . . 0.0 114.189 -173.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.448 ' HB2' HD13 ' A' ' 66' ' ' LEU . 4.6 m95 -97.1 12.67 31.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 110.459 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 p -63.29 -21.15 66.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 111.635 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -154.15 129.45 5.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.4 -38.37 52.89 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.157 2.571 . . . . 0.0 112.88 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -41.62 94.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.927 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -67.87 -40.32 83.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.004 -0.115 . . . . 0.0 110.879 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.49 90.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 110.759 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.34 -48.74 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.49 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -62.67 -40.92 98.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.243 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.24 -53.65 55.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.789 176.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.22 -43.33 92.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.529 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -45.98 90.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.44 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 m -68.61 -32.11 71.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.0 110.566 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.63 -55.3 21.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.769 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 ptm -61.3 -39.6 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.04 -43.95 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.736 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -70.15 -34.41 69.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.662 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -68.42 -12.73 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.334 0.588 . . . . 0.0 110.2 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -96.83 -1.8 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.383 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 42.8 mtt -103.52 154.96 37.48 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 122.267 -0.271 . . . . 0.0 110.89 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.25 155.85 33.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.6 2.2 . . . . 0.0 112.404 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.55 -35.27 4.82 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -102.56 148.04 26.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.225 0.536 . . . . 0.0 111.611 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.74 170.2 9.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.21 176.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.12 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -61.0 -25.01 66.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.562 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -97.06 -41.3 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.32 0.581 . . . . 0.0 110.512 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 41' ' ' MET . 93.6 mt -67.09 -21.3 65.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.011 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.51 -37.56 78.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.635 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.63 -37.39 25.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.01 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.421 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 18.4 mmt -54.7 -43.99 73.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -33.37 74.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.302 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.2 m -69.87 -45.55 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.7 -47.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.443 . . . . 0.0 110.016 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.23 77.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.83 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 43' ' ' THR . 7.4 pt20 -82.73 -37.55 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.705 0.288 . . . . 0.0 111.296 -175.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -85.68 -38.15 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.2 -46.93 88.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.75 0.31 . . . . 0.0 110.534 -175.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.2 t -56.56 -33.35 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.52 -33.36 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.835 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.0 p -63.83 -40.83 97.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.093 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.4 mt -75.05 -31.88 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.366 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -60.09 -47.83 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -74.36 -32.4 62.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.357 -177.88 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--O 1.227 -0.106 0 CA-C-O 121.019 0.438 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -66.37 -37.5 85.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.226 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.61 -33.68 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -95.89 4.09 53.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.43 -40.25 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.156 174.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 96.3 mt -71.18 -26.87 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.489 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -69.66 -26.35 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtm -86.06 -27.45 24.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -57.0 14.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.752 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.485 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.6 p90 -70.24 -29.3 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.376 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.02 83.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.528 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -63.76 -28.76 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -80.13 -45.34 18.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.01 0.433 . . . . 0.0 110.211 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 46.1 mtm -67.41 -25.32 65.87 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.55 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.524 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.87 -34.28 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.9 mt -71.13 -40.15 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.486 0.66 . . . . 0.0 110.097 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.97 -38.81 92.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.523 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 111.461 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' CD2' HG22 ' A' ' 94' ' ' THR . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 m -53.12 -52.01 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.855 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.8 m -73.47 -32.49 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.699 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 9.9 mmmm -59.58 -50.01 75.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.533 -173.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 90' ' ' LEU . 21.9 p -66.57 -37.4 84.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -61.58 -45.49 93.9 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.631 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 p -65.72 -39.95 91.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 101' ' ' MET . 82.0 mt -60.18 -45.69 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.999 0.428 . . . . 0.0 110.441 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.14 -50.36 73.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m -68.28 -38.04 81.29 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.217 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.422 ' N ' ' HE3' ' A' ' 30' ' ' MET . . . -59.9 -45.49 92.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 32.2 mtm -65.51 -42.94 91.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.808 0.337 . . . . 0.0 110.46 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -57.8 -54.21 49.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.09 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.6 t30 -60.53 -37.12 80.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.188 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.68 68.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.779 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.459 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.1 OUTLIER -74.74 -21.84 59.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.032 -174.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.82 -27.86 65.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.364 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 83.9 mm-40 -84.73 -23.59 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.018 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 37.2 p -89.95 -59.17 2.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.4 t -115.19 -23.99 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.092 0.472 . . . . 0.0 110.916 -177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.64 -19.91 40.65 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.042 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 t -126.68 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 113' ' ' ASN . 1.4 t -106.7 -143.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.527 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 36.8 t30 -158.99 105.24 1.75 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 20.8 tp60 -64.44 -49.16 73.02 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.978 -171.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.527 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 43.3 Cg_exo -58.51 -21.48 54.6 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.841 1.694 . . . . 0.0 112.633 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 35.7 t80 -74.38 -52.43 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 110.416 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.403 HD11 HG13 ' A' ' 112' ' ' VAL . 63.0 mt -61.45 -39.67 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.341 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.776 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 33.1 tt0 -83.14 -42.01 17.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.43 ' O ' HG21 ' A' ' 124' ' ' VAL . 30.7 mm -65.27 -44.45 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.003 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.2 p -57.59 -34.54 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.127 0.489 . . . . 0.0 110.789 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 126' ' ' MET . 48.8 mt-30 -71.81 -45.53 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.419 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 99.3 mt -57.66 -49.89 75.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 120' ' ' ILE . 96.2 t -57.44 -50.67 76.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.8 m -64.98 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.131 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -73.95 -55.64 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.692 -177.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -62.65 -33.76 75.71 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 111.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.32 -15.21 48.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.54 2.16 . . . . 0.0 112.962 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -98.82 5.62 47.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.123 -175.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.17 -16.3 60.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.054 0.454 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -146.12 124.47 6.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.84 -40.34 85.65 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.044 2.496 . . . . 0.0 112.751 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.31 89.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.682 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.97 -48.96 66.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.43 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.16 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.41 -46.39 88.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.439 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -64.32 -41.46 96.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.048 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.1 -55.41 25.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.502 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.7 mtp -68.87 -31.9 71.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.488 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -69.16 -44.47 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.205 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 m -66.84 -37.2 84.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.102 0.477 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.25 -50.35 73.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.235 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.6 ttm -56.4 -55.22 36.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.838 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 13.8 mm-40 -65.03 -40.71 95.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.547 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.91 -37.62 83.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.157 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.65 -33.89 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.96 0.409 . . . . 0.0 110.794 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 t -66.01 -18.71 65.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -95.12 -1.23 52.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.455 ' HE3' ' N ' ' A' ' 100' ' ' ALA . 52.2 mtt -100.3 153.06 37.96 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.601 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.26 159.03 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.622 2.215 . . . . 0.0 112.382 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.74 -35.48 5.01 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.816 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -103.49 146.36 28.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.412 0.625 . . . . 0.0 111.906 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.482 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.9 m -111.16 162.73 14.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.179 177.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.23 56.6 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.39 -45.75 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.496 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -65.66 -45.83 81.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.422 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -64.43 -28.76 69.89 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.998 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.93 -46.17 85.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.992 0.425 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.01 -33.54 61.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.115 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.89 -38.74 70.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 170.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -36.52 84.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.138 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.683 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.7 m -66.58 -45.23 79.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 176.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.48 -40.49 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.109 0.48 . . . . 0.0 110.155 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -12.17 61.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.262 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.1 pt20 -100.57 -45.93 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.512 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -70.62 -40.55 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -49.02 76.15 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.435 . . . . 0.0 109.966 -176.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.97 -47.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.68 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 98.3 mt-30 -57.56 -33.18 67.86 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.291 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -63.99 -45.26 89.84 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.06 -29.76 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 110.543 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.94 -37.11 78.56 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.17 0.51 . . . . 0.0 110.363 175.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.0 m -83.17 -35.47 25.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.46 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -178.104 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -66.24 -45.02 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.83 -37.76 74.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.967 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -76.56 -36.82 57.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.721 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 110.505 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.45 -32.88 72.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.845 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -70.56 -25.51 63.12 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.053 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.7 mtm -86.14 -35.69 20.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.96 -56.97 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.712 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -69.88 -29.75 67.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.411 -176.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.31 89.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -67.07 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -68.4 -46.36 70.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.338 . . . . 0.0 110.385 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -69.43 -24.98 63.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.96 83.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.976 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.98 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.91 -38.66 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.432 0.634 . . . . 0.0 110.338 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -67.49 -22.23 65.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.486 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.01 177.189 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -59.52 -40.81 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.318 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 m -65.59 -39.12 91.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.088 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.4 mmtm -60.77 -53.23 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.625 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.0 p -65.45 -37.35 86.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.977 -175.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.0 m -60.11 -42.72 95.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.303 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.4 m -68.9 -44.76 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.2 mt -55.16 -47.08 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.998 0.428 . . . . 0.0 111.05 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.407 ' HB1' ' CG2' ' A' ' 121' ' ' THR . . . -59.73 -40.72 88.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.462 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 m -76.97 -38.9 52.35 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.455 ' N ' ' HE3' ' A' ' 30' ' ' MET . . . -59.08 -42.22 89.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.515 ' HE1' HG12 ' A' ' 117' ' ' ILE . 33.1 mtm -66.88 -39.3 87.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.13 177.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.422 ' O ' HG21 ' A' ' 112' ' ' VAL . 14.7 t -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.245 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -66.59 -39.49 88.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.48 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.512 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 25.3 m-85 -64.15 -38.46 91.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.695 0.283 . . . . 0.0 111.307 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.45 -29.28 69.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 0.0 110.628 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 69.8 mm-40 -83.99 -21.36 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.16 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.0 p -100.05 -61.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.3 t -114.37 -9.26 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.981 0.419 . . . . 0.0 110.631 -175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.39 84.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.024 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -136.89 137.48 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 102' ' ' SER . 58.9 t -87.64 125.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.462 ' O ' HG13 ' A' ' 117' ' ' ILE . 56.9 t30 -90.71 91.36 8.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.477 0.656 . . . . 0.0 109.997 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -60.89 -53.09 67.42 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.922 -170.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.85 -33.97 73.64 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.323 2.015 . . . . 0.0 112.426 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.0 t80 -64.38 -48.07 76.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.472 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.515 HG12 ' HE1' ' A' ' 101' ' ' MET . 49.7 mt -69.52 -31.21 48.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.229 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.36 -36.11 76.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.325 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.0 tp10 -72.13 -47.47 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.192 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -58.23 -43.43 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.567 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.407 ' CG2' ' HB1' ' A' ' 98' ' ' ALA . 1.4 p -62.08 -26.16 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.621 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -84.93 -37.65 20.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 88.6 mt -62.19 -51.19 68.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.379 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 120' ' ' ILE . 91.0 t -56.79 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.439 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 p -67.9 -42.64 80.86 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.043 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.548 ' HA ' ' HE2' ' A' ' 126' ' ' MET . 30.2 mmt -67.74 -44.99 76.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.655 0.264 . . . . 0.0 111.36 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -69.91 -15.98 63.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.202 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 178.834 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.64 -16.85 51.0 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 113.13 -176.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -90.17 5.35 47.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.074 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -77.23 -14.88 59.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.147 0.498 . . . . 0.0 110.878 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -152.19 128.13 5.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.44 -38.61 53.87 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.306 2.671 . . . . 0.0 112.122 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.79 -36.27 93.1 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.097 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 mt -76.08 -38.87 56.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.42 0.152 . . . . 0.0 110.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.13 38.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.303 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.42 -38.46 89.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 110.704 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 1.5 m-80 -66.74 -49.67 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.138 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.49 -51.26 70.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.235 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -59.43 -43.94 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -65.94 -45.36 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.151 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -62.95 -42.85 99.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.986 0.422 . . . . 0.0 110.432 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.69 -53.69 54.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.364 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 ttm -53.3 -50.53 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.655 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.64 -48.35 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.7 -40.05 85.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.235 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.4 -35.78 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.009 0.433 . . . . 0.0 109.872 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -63.6 -19.98 65.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.794 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -91.73 -7.49 49.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.011 0.434 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.461 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 59.2 mtt -96.19 145.75 30.11 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.54 -179.81 4.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.012 2.474 . . . . 0.0 113.655 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.89 -19.0 56.38 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.864 176.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -101.83 173.64 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.172 0.511 . . . . 0.0 111.107 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.562 ' HB ' ' OG ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -110.04 157.19 19.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 174.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.82 -29.59 62.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.562 ' OG ' ' HB ' ' A' ' 34' ' ' THR . 1.8 p -64.04 -38.56 91.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.673 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 45.1 mm-40 -65.75 -44.11 86.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.296 0.569 . . . . 0.0 111.057 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -68.17 -22.01 64.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.769 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.47 -44.97 77.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.478 ' OD2' HD13 ' A' ' 80' ' ' ILE . 19.2 t70 -71.78 -38.88 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.532 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.7 mtt -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -62.74 -39.03 92.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.049 0.452 . . . . 0.0 110.045 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.3 m -67.59 -40.99 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.735 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.52 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.13 -13.52 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.542 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -100.53 -55.26 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.788 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 8.6 t -69.25 -37.65 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.824 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -64.5 -42.14 96.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.325 0.583 . . . . 0.0 109.836 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 89.5 t -68.55 -46.94 79.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.366 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 47' ' ' SER . 4.8 pp0? -58.43 -33.25 69.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -61.36 -44.06 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.984 176.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -72.64 -36.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 11.5 mm100 -57.59 -43.48 84.67 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.159 0.504 . . . . 0.0 110.283 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 m -77.08 -36.16 56.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.797 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.109 -178.534 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 121.052 0.453 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -70.62 -34.66 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.689 -176.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.57 -35.45 80.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 110.247 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -78.34 -37.26 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.56 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.67 -47.71 65.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.964 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.6 -27.84 68.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.828 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.69 -33.7 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.9 mtm -99.22 -7.99 25.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.096 0.474 . . . . 0.0 110.706 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.45 -61.74 1.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.506 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -66.31 -25.54 66.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 0.0 110.732 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.75 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -74.7 -42.09 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -63.22 -43.45 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.417 0.627 . . . . 0.0 110.415 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mtp -70.57 -30.21 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.404 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.91 -49.4 63.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.464 0.477 . . . . 0.0 111.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -65.78 -30.68 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.214 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.478 HD13 ' OD2' ' A' ' 40' ' ' ASP . 68.8 mt -71.81 -44.28 68.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.42 0.628 . . . . 0.0 110.379 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.624 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.79 -26.97 65.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.163 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.957 0.408 . . . . 0.0 111.023 178.029 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -50.6 -65.96 0.47 Allowed 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.482 0.489 . . . . 0.0 111.657 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -73.43 -25.52 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.053 0.454 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 30.5 mmtm -63.48 -64.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.289 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.3 p -63.5 -34.25 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.325 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -63.74 -34.28 77.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.177 0.513 . . . . 0.0 111.33 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.461 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 39.1 m -78.11 -47.27 18.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.1 mt -48.73 -46.26 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.04 -54.39 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.447 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 m -66.39 -36.41 82.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.939 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.33 79.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.088 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.47 ' HE3' HG12 ' A' ' 117' ' ' ILE . 34.4 mtm -71.3 -38.9 71.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.332 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.9 m -56.0 -49.73 72.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -67.82 -37.89 82.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.33 97.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -29.29 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.655 0.264 . . . . 0.0 111.175 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.99 -34.93 77.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.0 110.641 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.17 4.63 47.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.797 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 18' ' ' ASN . 23.0 p -121.29 -59.36 1.72 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.808 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -109.18 -30.11 8.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.022 0.439 . . . . 0.0 110.082 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.46 35.27 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.719 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -123.54 129.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.422 ' CG1' HD11 ' A' ' 117' ' ' ILE . 10.6 t -91.17 146.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.616 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -104.06 98.51 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.536 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.2 tp60 -64.74 -48.02 74.05 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.81 -36.99 84.46 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.408 2.072 . . . . 0.0 112.391 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.504 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.2 t80 -57.87 -53.66 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.423 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.47 HG12 ' HE3' ' A' ' 101' ' ' MET . 59.0 mt -63.92 -38.97 83.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.16 -177.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 96.5 m-20 -69.17 -26.03 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.245 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.69 -39.57 20.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -60.99 -43.1 95.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -59.98 -28.3 67.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.962 0.411 . . . . 0.0 111.06 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 52.0 mt-30 -72.21 -56.56 5.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.75 -50.1 69.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.866 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.73 -37.28 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.4 m -78.5 -37.23 43.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.921 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.437 ' HE1' ' N ' ' A' ' 126' ' ' MET . 0.0 OUTLIER -71.98 -39.31 69.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -177.703 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -74.6 -23.16 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.64 0.257 . . . . 0.0 111.056 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.44 -177.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.11 -9.19 18.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.739 2.292 . . . . 0.0 112.89 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.551 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.2 m95 -87.88 -0.92 57.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -65.69 -31.38 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.492 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -131.8 123.33 19.1 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.648 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.68 -38.11 65.55 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.255 2.636 . . . . 0.0 112.919 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.28 -36.04 60.02 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.744 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -68.72 -40.54 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.3 94.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.226 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.84 -54.17 45.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.507 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.459 ' HB3' HG21 ' A' ' 108' ' ' THR . 8.7 m-20 -60.17 -34.1 73.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.666 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.04 -50.94 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.69 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.36 -55.43 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -61.49 -29.93 70.29 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -65.08 -58.4 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.801 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -66.47 -33.81 76.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.15 -46.35 81.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.4 . . . . 0.0 110.583 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -71.0 -41.17 61.59 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.18 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 t -64.07 -16.16 61.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -103.87 1.62 31.65 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.428 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.2 mtt -99.19 147.82 33.79 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.556 0.217 . . . . 0.0 110.865 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.9 152.7 47.02 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.463 2.108 . . . . 0.0 112.469 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.55 -30.61 4.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -104.61 -178.08 3.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.314 0.578 . . . . 0.0 111.434 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 156.01 48.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.37 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -59.11 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.484 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.1 mp0 -73.06 -35.24 66.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 111.383 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.6 -29.29 68.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.65 -41.33 98.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.199 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' OD2' HD13 ' A' ' 80' ' ' ILE . 18.9 t70 -68.63 -43.09 77.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.239 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.4 mtt -59.7 -35.4 74.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.249 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -62.11 -28.02 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.221 0.534 . . . . 0.0 109.973 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.685 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.3 m -81.27 -41.14 22.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.645 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -34.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.315 0.579 . . . . 0.0 109.815 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.05 -14.8 61.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.848 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.2 pt20 -105.84 -44.33 4.66 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.749 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -68.07 -41.63 81.68 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.73 0.3 . . . . 0.0 111.695 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.415 ' HE3' ' HB3' ' A' ' 69' ' ' LEU . 13.1 tpt -63.39 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 110.45 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.8 t -64.02 -47.32 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 56.3 mt-30 -60.15 -35.73 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.655 0.264 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 m -60.95 -45.51 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.982 0.42 . . . . 0.0 110.129 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.27 -35.06 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.5 mm-40 -56.72 -26.82 57.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 176.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 m -97.63 -44.19 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.591 -177.113 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.16 -19.8 63.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.445 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.551 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.3 mm? -69.56 -26.97 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.69 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -81.76 -26.11 34.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.483 -179.339 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.33 -35.76 35.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.002 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 ' HB3' ' HE3' ' A' ' 48' ' ' MET . 77.8 mt -67.55 -42.03 83.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.561 ' OD1' ' HA ' ' A' ' 67' ' ' GLN . 1.1 p-10 -74.89 -18.73 60.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.49 -173.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -94.32 -17.43 22.62 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.655 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.66 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -65.71 -23.61 66.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.29 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.574 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -35.03 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 5.1 m -70.42 -42.98 70.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.655 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.25 -24.09 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.798 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.79 -46.63 77.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.25 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 76' ' ' SER . 11.6 pt-20 -71.81 -17.01 62.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 66.6 mt -86.12 -41.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.155 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -72.57 -25.63 61.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.187 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 111.274 178.804 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.417 HD22 ' CB ' ' A' ' 81' ' ' ALA . 5.1 mt . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.647 0.26 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -53.44 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -172.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.45 -33.01 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 9.6 mptt -65.18 -61.18 2.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.158 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -58.78 -35.31 72.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 t -68.23 -36.24 79.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.372 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -78.87 -40.86 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.191 -0.318 . . . . 0.0 110.617 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.1 mt -53.78 -46.25 62.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 110.376 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.8 72.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.748 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -75.99 -34.27 59.74 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.6 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.545 ' HE1' HG12 ' A' ' 117' ' ' ILE . 32.6 mtm -67.86 -42.08 81.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.473 177.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m -56.57 -47.39 79.61 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.245 0.545 . . . . 0.0 110.237 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.1 t30 -61.34 -44.67 96.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.784 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.56 98.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.614 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.404 ' HA ' ' HG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -74.33 -24.2 59.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.715 -177.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.73 -24.16 49.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 85.1 mm-40 -82.09 -25.32 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.002 0.429 . . . . 0.0 110.679 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.459 HG21 ' HB3' ' A' ' 18' ' ' ASN . 11.1 p -89.37 -61.59 1.67 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 t -120.67 -6.04 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 -176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.41 80.8 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.07 141.98 44.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.47 125.69 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.724 0.297 . . . . 0.0 110.779 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.2 t-20 -87.13 91.49 8.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.482 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.8 tp60 -60.25 -50.94 83.65 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.363 -174.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -53.62 -40.38 79.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 121.752 1.634 . . . . 0.0 112.382 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.2 t80 -58.92 -49.32 78.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.893 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.545 HG12 ' HE1' ' A' ' 101' ' ' MET . 48.7 mt -71.04 -32.23 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.961 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -71.89 -28.98 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.715 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 35.2 tt0 -79.88 -44.77 19.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.421 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -56.89 -52.47 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.4 p -57.7 -33.99 68.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.958 0.409 . . . . 0.0 111.568 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 126' ' ' MET . 34.5 tt0 -75.58 -44.54 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.2 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 86.2 mt -59.15 -51.05 71.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.023 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 120' ' ' ILE . 85.8 t -55.66 -41.39 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -45.71 81.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 23.2 mmt -71.48 -41.26 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.651 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.86 -21.06 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 175.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.63 -3.64 13.48 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.879 2.386 . . . . 0.0 114.165 -173.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TRP . . . . . 0.562 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.5 m95 -99.05 11.26 39.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.937 0.398 . . . . 0.0 110.619 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -71.68 -20.91 61.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.703 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -145.31 126.94 7.76 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.25 -35.31 41.49 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.644 2.229 . . . . 0.0 112.555 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.51 -34.22 63.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.307 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.23 -43.37 78.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.09 87.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.639 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.63 -49.51 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.477 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -60.26 -41.52 93.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.68 -49.07 74.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.745 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.436 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 mmt -58.86 -51.23 70.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.161 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.14 -49.79 76.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.121 -179.655 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -63.19 -32.59 74.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.075 0.464 . . . . 0.0 111.092 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -62.84 -52.43 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.109 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.694 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.3 mm-40 -56.93 -41.55 78.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.45 -39.77 21.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.27 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -33.02 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.133 0.492 . . . . 0.0 109.794 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' HA ' HD11 ' A' ' 38' ' ' LEU . 19.7 t -72.82 2.56 6.49 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.225 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -122.92 0.11 9.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.826 0.346 . . . . 0.0 110.448 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.459 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.3 mmt -87.92 144.0 34.14 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.17 171.26 18.44 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.513 2.142 . . . . 0.0 112.145 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.426 ' HA3' ' HB ' ' A' ' 92' ' ' THR . . . 93.68 -26.5 15.91 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.776 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -101.31 -177.56 3.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -141.22 164.35 30.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.3 -32.61 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -70.0 -49.19 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.582 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -52.44 -41.52 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 0.0 111.456 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 34' ' ' THR . 78.4 mt -68.82 -23.17 64.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.229 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.75 -40.73 79.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.43 . . . . 0.0 110.22 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.15 -39.22 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.099 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.0 mtt -59.86 -33.5 71.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.501 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -61.95 -31.63 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 109.834 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -74.87 -42.07 58.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.763 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.95 -42.93 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.957 0.408 . . . . 0.0 110.377 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -63.49 -10.62 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.714 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 25.6 tt0 -104.99 -58.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.051 0.453 . . . . 0.0 110.936 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 t -66.04 -34.84 79.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.039 -172.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.66 98.25 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.62 -43.75 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.837 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 10.6 mm100 -63.85 -29.66 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.237 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.9 -32.81 56.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.292 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.08 -55.83 29.66 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.369 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -61.8 -40.06 93.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.65 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.385 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -65.81 -35.69 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.316 0.579 . . . . 0.0 110.381 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.417 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -94.2 10.7 32.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.454 0.645 . . . . 0.0 110.654 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.83 -47.34 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.919 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.67 -30.27 70.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.58 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -63.86 -34.24 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.7 mtm -85.32 -30.98 23.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.035 0.445 . . . . 0.0 109.859 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.38 -54.65 40.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.854 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -69.59 -28.04 65.62 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.174 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.87 87.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 m -65.61 -41.66 92.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.265 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.9 t -63.27 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.702 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 mtm -82.03 -23.9 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.944 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.73 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.036 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -29.15 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.753 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt -79.22 -45.62 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.84 -31.69 72.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.912 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.265 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.9 mt . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.481 0.182 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -50.95 -40.84 58.44 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.426 ' HB ' ' HA3' ' A' ' 32' ' ' GLY . 9.0 m -118.93 -15.17 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.05 0.452 . . . . 0.0 111.133 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -53.39 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -169.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.404 HG22 ' OG ' ' A' ' 125' ' ' SER . 29.5 p -67.03 -35.72 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -63.47 -44.4 94.55 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 53.7 m -60.13 -44.8 94.63 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.739 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.73 -47.29 91.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.864 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 121' ' ' THR . . . -56.71 -55.72 30.5 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.184 -177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 m -64.37 -39.29 93.59 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.389 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.17 88.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.411 ' HE1' HG12 ' A' ' 117' ' ' ILE . 33.0 mtm -68.26 -38.31 81.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.619 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.459 ' HA ' HG12 ' A' ' 112' ' ' VAL . 42.5 m -59.88 -46.35 89.59 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.085 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.4 t30 -70.0 -36.56 75.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.91 86.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.44 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -19.78 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.16 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 55.7 mt -74.21 -27.39 60.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.845 0.355 . . . . 0.0 110.496 174.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 66.5 mm-40 -85.04 -17.38 37.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.723 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.9 p -98.44 -59.82 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.4 t -113.65 -18.02 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.236 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.17 8.29 63.16 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.011 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.8 p -147.48 145.28 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.477 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 2.5 t -121.79 155.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.072 0.463 . . . . 0.0 111.534 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -97.32 97.02 8.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.476 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.8 tp60 -65.6 -49.02 63.68 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.54 -173.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 50.7 Cg_exo -55.27 -39.12 92.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 C-N-CA 121.787 1.658 . . . . 0.0 112.085 177.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.58 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.9 t80 -54.51 -51.97 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.793 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.415 HD13 ' CG1' ' A' ' 112' ' ' VAL . 62.0 mt -65.26 -42.67 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.44 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.45 -17.8 63.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 34.4 tt0 -88.81 -40.77 12.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.197 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.1 mm -58.62 -44.32 89.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 19.5 p -55.4 -36.75 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.059 0.457 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -81.88 -37.31 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.375 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 89.4 mt -56.76 -51.34 69.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.8 -41.73 83.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.404 ' OG ' HG22 ' A' ' 94' ' ' THR . 46.2 m -64.57 -47.79 77.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.557 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -25.23 40.9 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -77.62 -39.1 46.43 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.545 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.432 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.033 0.444 . . . . 0.0 111.577 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -79.42 102.96 9.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.157 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.19 102.58 1.38 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 175.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.68 36.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.763 0.316 . . . . 0.0 111.566 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -162.42 154.6 18.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.7 t60 69.59 11.15 7.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -57.05 118.33 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.002 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' HB ' HD11 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -100.68 144.98 29.54 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.04 -4.25 8.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.798 2.332 . . . . 0.0 113.735 -175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.532 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.3 m95 -95.58 7.24 46.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.582 0.229 . . . . 0.0 110.829 -177.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.6 p -63.04 -36.04 82.25 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.018 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -126.92 130.86 23.71 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.365 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.443 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 20.1 Cg_endo -60.67 -33.99 92.63 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.505 2.136 . . . . 0.0 112.101 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.63 -35.89 44.98 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.079 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.06 -41.0 91.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.464 ' O ' ' HG3' ' A' ' 20' ' ' MET . . . -57.14 -44.72 83.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.86 -56.21 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.353 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -43.98 78.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.983 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.6 -53.08 57.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.492 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.541 ' CE ' ' HA ' ' A' ' 45' ' ' ALA . 53.6 mtp -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.165 -174.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.64 -54.5 45.73 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.737 0.303 . . . . 0.0 111.018 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 m -60.02 -34.79 73.84 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.097 0.475 . . . . 0.0 110.406 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.83 -58.5 8.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.045 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.52 -30.94 71.76 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.438 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.14 -50.97 43.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 0.0 110.978 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.8 -37.47 84.14 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.735 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.74 -30.93 71.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -61.87 -26.37 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -90.68 -6.16 54.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.1 mtt -93.02 152.17 41.17 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.398 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.0 178.52 6.78 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.624 2.216 . . . . 0.0 112.447 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.8 -39.44 3.11 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -100.15 155.52 17.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.12 0.486 . . . . 0.0 111.587 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.441 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -115.18 155.89 26.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.6 63.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -62.29 -30.45 71.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.441 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 19.4 mp0 -82.42 -36.76 26.35 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.4 -30.23 71.27 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.937 0.398 . . . . 0.0 109.945 175.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -56.71 -39.86 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.716 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.19 -38.56 31.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.1 mtt -60.15 -31.35 70.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.337 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 t -60.12 -41.93 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.623 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 92.8 m -67.21 -41.39 85.87 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.716 176.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.09 -41.8 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.0 109.918 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HA ' ' CE ' ' A' ' 20' ' ' MET . . . -61.28 -52.79 63.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.78 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.623 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.31 -33.75 76.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.098 -177.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -70.16 -51.8 28.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.886 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.405 ' HE3' ' HB3' ' A' ' 69' ' ' LEU . 85.5 mmm -60.57 -46.15 91.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.139 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 85.9 t -58.19 -51.87 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.46 -35.6 79.81 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -60.32 -49.28 78.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.954 0.407 . . . . 0.0 110.234 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.27 -32.0 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' ' 13' ' ' PRO . 69.2 mm-40 -56.42 -53.94 51.51 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.849 0.356 . . . . 0.0 110.513 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 20.7 t -67.38 -38.32 84.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.749 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.07 -49.4 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.289 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.43 -22.46 54.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.675 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.15 11.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.754 0.312 . . . . 0.0 111.499 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 54' ' ' SER . 2.4 pp0? -91.16 4.44 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.99 -110.33 0.23 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.806 -1.188 . . . . 0.0 112.858 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.66 179.26 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.619 0.247 . . . . 0.0 110.685 -176.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.7 m -121.21 121.69 38.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.795 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 p -85.19 157.97 58.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.57 -29.95 62.86 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.914 2.409 . . . . 0.0 112.605 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -64.09 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.728 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.64 -37.56 79.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.532 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -64.3 -36.53 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.435 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.63 12.13 13.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.351 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.61 -45.29 2.51 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.195 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.405 ' HB3' ' HE3' ' A' ' 48' ' ' MET . 79.8 mt -63.68 -27.45 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -65.55 -34.44 78.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 18.4 ptp -91.32 -17.12 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.323 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -57.46 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -71.0 -21.16 62.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.028 0.442 . . . . 0.0 110.327 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.44 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.253 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -71.13 -40.02 71.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.749 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -74.25 -22.34 59.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.9 mtm -86.87 -23.55 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.188 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.89 -26.58 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.672 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.1 mt -83.62 -37.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.403 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.75 -32.3 73.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.657 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 14.96 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.194 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -91.48 124.86 35.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.512 . . . . 0.0 109.821 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -92.62 121.43 34.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.888 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.74 -163.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.25 105.48 0.64 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.296 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.34 -40.38 0.61 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.882 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.49 -145.31 17.26 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.656 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 m -75.87 173.04 11.68 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.156 0.582 . . . . 0.0 112.485 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.407 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 10.1 tt -70.72 -26.93 63.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.073 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 m -58.72 -28.9 66.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 m -86.66 -17.13 34.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.51 0.671 . . . . 0.0 110.776 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.2 mmtm -75.88 -57.32 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.39 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.8 p -66.21 -33.84 76.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.247 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 p -66.48 -39.04 88.54 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 120.988 0.423 . . . . 0.0 111.168 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -69.6 -44.4 70.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.108 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.39 -46.33 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.531 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.71 -46.8 83.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.52 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -72.94 -37.59 67.1 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.2 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.45 92.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.223 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.457 ' HE2' HG12 ' A' ' 117' ' ' ILE . 32.7 mtm -66.09 -40.36 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.416 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -59.13 -54.59 45.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.501 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.0 t30 -62.25 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.007 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.28 71.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -24.69 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.0 111.553 -175.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.553 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 38.7 mt -69.02 -30.26 68.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.571 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -82.96 -26.06 31.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.655 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.7 p -88.44 -59.65 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.167 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.3 t -119.97 -8.79 9.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.771 0.32 . . . . 0.0 111.27 -175.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.53 63.15 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.239 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.4 t -120.15 135.05 61.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.553 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 18.6 t -105.21 145.42 13.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.849 0.357 . . . . 0.0 110.792 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.19 94.78 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.058 0.456 . . . . 0.0 109.833 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.474 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.9 tp60 -63.23 -48.19 83.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.223 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.0 Cg_exo -50.18 -43.31 43.54 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 122.047 1.831 . . . . 0.0 112.169 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.421 ' O ' HG12 ' A' ' 120' ' ' ILE . 37.9 t80 -57.71 -50.4 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.136 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.457 HG12 ' HE2' ' A' ' 101' ' ' MET . 80.6 mt -61.39 -38.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.757 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 79.1 m-20 -69.44 -43.97 72.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.012 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.35 -46.94 85.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.423 ' O ' HG23 ' A' ' 124' ' ' VAL . 32.9 mm -61.39 -47.54 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.6 p -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.318 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.757 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.1 mm-40 -69.97 -49.0 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.35 -53.03 62.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.373 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.2 t -56.14 -49.55 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.292 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -34.68 76.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -53.21 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.54 -177.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.58 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.517 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.02 -43.99 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 111.428 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -80.76 -25.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 111.261 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -83.26 -31.6 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 71.15 42.25 58.66 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.329 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 ptp -167.97 157.81 10.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.292 . . . . 0.0 110.954 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -112.56 25.64 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.7 t70 63.92 86.6 0.12 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.008 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 p -164.93 121.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.99 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 20.9 m 62.85 20.48 12.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.538 -175.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -57.56 122.34 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 111.318 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.53 -59.15 0.48 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.067 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -75.81 3.4 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.268 0.556 . . . . 0.0 110.538 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.44 -36.9 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 59.15 19.01 6.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.268 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.7 t -92.09 -9.28 43.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.194 0.521 . . . . 0.0 111.57 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -168.26 158.16 8.64 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.206 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.72 -12.54 22.13 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.278 1.985 . . . . 0.0 112.129 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.484 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.9 m95 -93.05 1.46 57.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.3 p -69.63 -20.67 63.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.182 0.515 . . . . 0.0 111.255 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -143.53 123.83 7.81 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.523 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.74 -41.87 66.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.94 2.427 . . . . 0.0 112.449 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -33.25 84.67 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.799 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.56 -43.79 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.846 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.14 -53.09 62.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.672 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.409 ' HB3' HG21 ' A' ' 108' ' ' THR . 8.3 m-80 -60.01 -39.31 85.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.289 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.62 -50.87 70.83 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.508 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 20.3 mmt -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.379 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -47.54 84.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -67.96 -43.31 79.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.34 -57.49 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.262 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -59.02 -41.35 87.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.6 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.9 -52.71 63.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.379 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.75 -38.17 85.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.608 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.16 -35.1 80.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.6 t -65.57 -13.77 59.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.0 t -101.43 -8.76 21.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.793 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.8 mtt -87.03 149.23 47.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.943 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 160.09 40.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.748 2.299 . . . . 0.0 113.005 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.42 -29.84 10.84 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.389 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -101.73 155.8 17.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 111.551 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.18 162.83 15.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.243 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -41.09 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -38.83 75.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.863 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 69.8 mt-30 -76.04 -40.22 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.6 mt -67.24 -30.59 70.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.99 -33.79 76.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.76 -39.61 61.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.157 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.4 mtt -60.43 -32.02 70.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.404 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -59.69 -39.7 85.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 109.852 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.433 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 98.8 m -69.71 -40.27 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.738 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.46 -43.95 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.064 0.459 . . . . 0.0 109.992 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.85 -50.02 73.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.048 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 43' ' ' THR . 2.8 pt20 -70.47 -29.68 66.29 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.447 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -74.75 -46.99 33.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.4 mmm -61.13 -44.25 97.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.255 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.9 -48.42 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.166 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.5 -35.05 79.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -66.79 -22.71 66.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.096 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.21 -30.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.263 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.12 -56.2 20.38 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -69.81 -25.84 63.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.78 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -73.71 -47.6 38.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.82 -22.61 59.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.788 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.31 78.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.91 -33.34 57.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.332 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.31 -17.72 58.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.272 173.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.28 103.68 9.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.499 -177.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.8 m -132.48 114.84 14.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.6 m -82.36 153.17 68.46 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.07 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.03 -24.45 76.61 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.521 2.148 . . . . 0.0 112.012 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.25 -30.05 71.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.4 mmmt -64.02 -46.0 86.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -58.28 -28.23 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.21 -44.29 13.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.853 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.91 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.0 110.731 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.0 mt -70.0 -34.78 73.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.172 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -76.36 -22.44 54.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.406 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.1 mmt -67.81 -46.85 70.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.227 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.11 -60.69 3.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.275 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.474 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.5 p90 -67.05 -30.77 70.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.901 -174.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.3 78.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.79 0.328 . . . . 0.0 110.529 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -67.4 -43.9 80.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.885 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -65.75 -41.37 92.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.474 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.4 mtm -68.4 -29.11 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.378 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.17 97.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.49 -47.37 86.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.16 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 64.7 mt -60.39 -46.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.777 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.56 -41.37 73.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.802 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.04 23.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -83.45 122.93 29.17 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 120.586 0.231 . . . . 0.0 110.498 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -73.5 114.97 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.553 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.26 -159.22 0.63 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.35 67.5 0.53 Allowed Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.69 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.33 75.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.01 -19.66 12.46 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.926 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.525 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 22.8 m -59.55 105.1 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.063 0.458 . . . . 0.0 111.436 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.543 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 5.9 tt -67.14 -20.39 65.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.539 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -59.78 -31.2 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.779 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -96.41 -13.33 23.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.524 0.678 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.543 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 10.5 mmmm -77.47 -37.75 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.385 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 p -82.57 -32.0 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 p -68.49 -50.46 52.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.436 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.7 mt -48.22 -49.74 12.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.277 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 121' ' ' THR . . . -57.02 -44.9 83.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -73.82 -38.97 64.39 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.114 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.63 85.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.916 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.5 ' HE1' HG12 ' A' ' 117' ' ' ILE . 30.5 mtm -67.08 -43.28 82.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.179 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 t -56.03 -45.12 79.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.242 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.552 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 24.7 t30 -67.22 -39.76 86.3 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.51 87.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.407 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -60.33 -41.75 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.079 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.56 -26.43 64.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.7 mm-40 -84.32 -16.27 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 18' ' ' ASN . 23.9 p -111.27 -57.21 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.8 t -114.95 -12.58 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.996 -175.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 10.3 83.71 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.004 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -144.66 134.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.57 137.04 35.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.758 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -97.2 95.38 7.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.498 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.4 tp60 -62.91 -49.1 83.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.137 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.0 Cg_exo -52.66 -42.81 60.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 121.974 1.783 . . . . 0.0 112.545 176.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.544 ' O ' HG12 ' A' ' 120' ' ' ILE . 59.5 t80 -56.46 -50.28 72.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.742 176.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.5 HG12 ' HE1' ' A' ' 101' ' ' MET . 76.2 mt -65.96 -38.66 82.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.076 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.52 -46.01 91.71 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.5 tp10 -60.31 -44.83 95.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.139 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.544 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.5 mm -59.44 -48.39 87.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.427 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.458 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 34.0 p -58.87 -33.18 70.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 126' ' ' MET . 12.3 pt20 -88.93 -21.84 23.38 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.505 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 69.6 mt -68.43 -53.28 24.7 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.2 -45.98 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 m -62.44 -39.2 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.964 0.412 . . . . 0.0 110.965 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -71.07 -44.9 64.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -176.454 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.55 -29.19 64.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -61.01 2.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.133 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.8 -49.39 70.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.432 ' HB3' ' HE3' ' A' ' 132' ' ' MET . . . 58.46 21.62 8.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.893 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.38 75.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' A' ' 130' ' ' ALA . 64.4 mtm -111.84 148.61 33.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -92.09 149.39 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.481 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -104.46 89.05 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.149 0.976 . . . . 0.0 111.241 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.479 ' O ' ' HB2' ' A' ' 136' ' ' SER . 13.4 m -113.95 42.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.726 165.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 135' ' ' VAL . 58.5 m 72.51 85.78 0.12 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.764 -164.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.835 -177.073 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -93.56 18.41 10.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.041 0.448 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.9 166.3 12.48 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.892 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -97.75 8.49 44.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.354 0.597 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -71.44 89.87 0.95 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.129 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -95.97 65.16 2.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 p -96.01 159.02 15.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.196 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.32 158.04 36.42 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.923 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.35 -9.1 14.18 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.827 2.352 . . . . 0.0 113.858 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.559 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 7.6 m95 -95.77 4.48 52.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.566 0.222 . . . . 0.0 111.092 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -69.52 -23.94 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.029 0.442 . . . . 0.0 111.264 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -138.16 127.74 14.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.254 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.91 -35.12 69.54 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.088 2.525 . . . . 0.0 112.806 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.06 37.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.822 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.36 -40.01 92.71 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.291 0.091 . . . . 0.0 110.853 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.71 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.325 0.391 . . . . 0.0 111.055 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.45 -50.54 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.321 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.443 ' HB3' HG22 ' A' ' 108' ' ' THR . 27.1 m-80 -62.0 -43.7 98.28 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.52 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.8 -49.64 76.92 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.505 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.489 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 12.1 mmt -58.95 -49.6 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.483 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -65.41 -31.73 72.99 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.791 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.32 -56.72 8.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.436 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.8 ppp? -63.64 -37.62 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.522 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.436 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 13.1 mm100 -68.07 -46.96 69.6 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.746 0.307 . . . . 0.0 111.273 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.73 -40.47 93.87 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.345 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.9 -35.04 79.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.687 0.279 . . . . 0.0 111.071 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.2 m -65.73 -16.16 63.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -92.45 -10.13 39.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.529 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.1 mtt -96.62 154.11 38.57 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.458 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.93 154.71 19.84 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.725 2.283 . . . . 0.0 112.428 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.47 6.36 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.431 172.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.93 178.07 4.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.195 0.521 . . . . 0.0 111.351 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 1.4 m -131.98 159.44 38.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 176.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.07 69.58 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -59.57 -45.33 92.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.4 mp0 -72.42 -34.35 67.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.95 -30.11 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.526 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.08 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.526 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -72.8 -36.29 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mtt -60.41 -24.2 64.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.663 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 t -62.61 -32.48 73.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 0.0 109.985 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -65.93 -43.19 88.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.156 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.76 -42.23 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.379 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -59.11 -27.98 66.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.314 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -91.51 -52.52 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -57.34 -50.26 73.52 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.366 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.8 mmm -58.32 -41.37 84.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.742 0.306 . . . . 0.0 111.112 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.604 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.9 t -62.79 -44.1 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.614 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -63.45 -39.02 93.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.257 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.767 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.87 -33.5 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.258 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.604 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.75 -50.66 72.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.178 0.513 . . . . 0.0 109.875 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -66.91 -27.19 67.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.995 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 61' ' ' THR . 32.8 tp -75.38 -42.96 52.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.71 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.45 -20.44 62.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 110.514 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.97 -44.92 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.79 -24.78 55.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.84 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.65 -71.52 0.31 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.701 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.02 127.0 29.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.572 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 62' ' ' SER . 25.5 m -122.06 -71.24 0.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.568 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 61' ' ' THR . 40.0 m 74.99 136.06 0.05 OUTLIER Pre-proline 0 CA--C 1.536 0.426 0 O-C-N 123.822 0.701 . . . . 0.0 110.439 -171.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 62' ' ' SER . 51.2 Cg_exo -55.39 -17.72 17.07 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.325 2.683 . . . . 0.0 113.619 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.19 -31.19 72.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -69.25 -33.77 73.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.286 0.565 . . . . 0.0 110.081 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.559 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -66.97 -25.03 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.403 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -90.11 8.04 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.81 -38.46 3.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.479 173.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.8 -24.61 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -67.84 -38.04 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.4 ptp -85.51 -16.92 37.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 110.364 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.42 -60.01 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.184 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.9 p90 -69.64 -28.18 65.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.321 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.63 80.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.99 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t -65.58 -46.28 80.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.293 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.526 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mtp -61.37 -36.84 81.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.45 ' HB3' ' N ' ' A' ' 128' ' ' ALA . . . -60.85 -44.24 97.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.372 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.13 -27.67 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 78.8 mt -78.01 -40.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.5 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.66 19.07 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.014 0.435 . . . . 0.0 111.526 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 t -97.88 122.59 41.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.22 104.56 16.91 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.263 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -142.59 37.75 1.49 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 119.86 34.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.488 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.45 85.11 0.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.86 5.39 63.85 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.81 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 7.2 m -56.61 115.49 2.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.501 0.191 . . . . 0.0 110.767 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.48 HD22 ' HB2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -78.04 -24.83 47.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 m -54.55 -41.85 70.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.647 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 m -82.27 -26.83 32.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 89' ' ' SER . 46.1 mmtm -61.54 -55.88 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 p -63.94 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.782 -173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m -66.09 -46.0 79.21 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.382 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 p -71.78 -43.76 65.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.46 -48.3 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.994 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.66 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.312 -177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -78.5 -36.77 44.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.233 -173.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.89 85.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.0 mtm -70.35 -37.2 74.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 0.0 110.24 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.338 0.59 . . . . 0.0 109.585 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.563 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.2 t30 -61.57 -39.88 92.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.905 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.67 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.75 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -70.14 -26.24 63.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 64.5 mt -78.41 -28.78 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.1 mm-40 -78.94 -23.19 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.754 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.443 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.5 p -93.19 -68.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 t -111.44 -32.74 6.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.904 0.383 . . . . 0.0 111.017 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.77 -7.04 38.34 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.531 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.15 125.68 70.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.408 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 21.6 t -99.78 138.53 23.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.472 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -97.24 98.13 9.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.076 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.489 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.0 tp60 -62.5 -49.3 84.02 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.962 -177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.9 Cg_exo -49.64 -46.26 27.82 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.118 1.879 . . . . 0.0 112.326 174.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.43 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.8 t80 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.251 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 70.9 mt -64.84 -37.33 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.078 -178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -65.65 -46.32 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.88 -53.78 54.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.09 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.5 mm -58.56 -47.84 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.788 -177.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.9 p -63.96 -28.57 69.91 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.496 -176.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -78.85 -36.01 43.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.803 0.335 . . . . 0.0 110.158 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.0 -52.09 64.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.745 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 120' ' ' ILE . 90.2 t -55.63 -44.59 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.792 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.6 t -57.66 -40.64 79.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.1 tpp -75.33 -47.88 25.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.205 -174.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -69.56 -30.57 68.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.45 ' N ' ' HB3' ' A' ' 78' ' ' ALA . . . -67.19 -40.74 86.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -72.95 -52.45 14.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.153 176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.48 23.14 5.61 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 173.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.91 86.94 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.616 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.9 mmt -77.82 157.35 29.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -147.84 127.4 13.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.75 67.42 4.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.159 0.981 . . . . 0.0 110.65 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.43 106.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.44 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.6 t 69.05 9.7 7.53 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.773 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.27 -178.02 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 p -147.2 22.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 111.137 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.86 -156.62 27.5 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.851 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.421 ' C ' ' H ' ' A' ' 6' ' ' HIS . 32.7 t30 -70.88 -50.46 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.619 0.247 . . . . 0.0 111.02 -178.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t 74.15 -27.52 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.672 0.789 . . . . 0.0 111.671 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.421 ' H ' ' C ' ' A' ' 4' ' ' ASN . 43.4 t-80 -80.61 81.05 6.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.901 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.415 HG21 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -91.53 147.26 34.89 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.616 172.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' HG21 ' A' ' 8' ' ' THR . 49.3 Cg_endo -69.0 -10.3 28.77 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.477 2.118 . . . . 0.0 113.81 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -89.9 2.4 55.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 0.0 110.746 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.507 HG23 HD21 ' A' ' 12' ' ' ASN . 9.0 t -64.53 -23.82 67.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -177.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.507 HD21 HG23 ' A' ' 11' ' ' THR . 49.6 m-80 -139.19 127.77 13.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.89 -41.07 65.16 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.612 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.06 -40.69 95.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.945 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -67.42 -39.25 85.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.042 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.71 -45.87 88.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.42 -40.46 97.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.9 -49.35 73.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.455 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.52 -48.33 82.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.606 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.548 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -59.12 -47.63 84.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.246 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 m -63.2 -35.98 82.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.036 0.446 . . . . 0.0 110.532 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 58.3 t80 -64.61 -55.83 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.011 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.491 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 76.4 mm-40 -70.25 -49.35 50.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.844 0.354 . . . . 0.0 110.354 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.56 82.4 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 22.4 tp -73.62 -27.28 61.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.431 ' HA ' HD11 ' A' ' 38' ' ' LEU . 19.9 t -70.76 -13.48 62.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.382 0.61 . . . . 0.0 109.617 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -91.64 -9.77 42.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.143 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.409 ' CB ' ' HB3' ' A' ' 96' ' ' SER . 19.9 mmt -89.74 155.43 47.97 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.85 -178.28 4.06 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.8 2.333 . . . . 0.0 112.054 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 -40.08 3.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 113.197 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -86.53 150.96 23.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 111.285 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -107.08 161.54 14.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.146 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.77 81.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 111.549 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -57.95 -36.24 72.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.26 0.552 . . . . 0.0 110.818 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -76.92 -42.51 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.756 -177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' ' 28' ' ' SER . 97.7 mt -65.43 -30.15 70.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.461 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.38 -35.31 79.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.929 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -78.73 -24.53 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.477 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.3 mmt -60.14 -29.16 68.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 110.488 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -65.56 -26.83 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.194 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -59.91 -51.83 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 109.739 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.85 -36.91 78.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.58 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.434 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -103.61 -58.8 1.82 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -56.27 -47.86 77.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.276 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 88.8 mmm -60.65 -51.95 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 111.227 -177.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.94 -50.17 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.268 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -29.23 68.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.67 -176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.04 -37.65 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.5 -34.92 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -59.95 -47.19 86.82 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 15.3 m -73.65 -8.79 57.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.4 tp -90.82 -55.72 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.8 -22.55 64.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.644 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.93 -43.08 9.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.519 ' HB2' ' O ' ' A' ' 54' ' ' SER . 23.3 mt-30 -101.23 8.45 42.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -172.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.17 -141.85 3.4 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.387 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -134.48 150.4 50.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.44 ' O ' ' HB2' ' A' ' 62' ' ' SER . 4.4 m -99.39 -76.45 0.54 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 61' ' ' THR . 57.7 m 68.98 156.84 0.15 Allowed Pre-proline 0 N--CA 1.469 0.495 0 C-N-CA 122.684 0.394 . . . . 0.0 111.045 -172.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.36 -19.18 49.64 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.967 2.445 . . . . 0.0 113.218 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.52 -40.13 93.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.26 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -65.63 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.941 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.92 -17.83 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.55 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.52 7.24 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -109.94 -42.42 4.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.109 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' MET . 80.5 mt -69.6 -20.59 63.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.645 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -71.31 -31.19 67.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.559 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.1 mtm -86.18 -30.5 22.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.105 0.479 . . . . 0.0 109.935 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.16 -55.59 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.013 -175.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.477 ' O ' ' HG3' ' A' ' 77' ' ' MET . 5.0 p90 -76.26 -22.71 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.06 -36.67 69.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.959 0.409 . . . . 0.0 110.591 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -67.06 -36.57 82.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.758 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -35.77 53.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.111 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.477 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 50.6 mtm -68.22 -28.64 67.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.556 0.217 . . . . 0.0 110.789 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.16 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.71 -32.69 74.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 83' ' ' SER . 70.4 mt -77.05 -40.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.23 80.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.514 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.0 6.45 13.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.094 0.473 . . . . 0.0 111.851 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 37.1 m -90.52 104.85 17.39 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.09 75.9 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.428 0.632 . . . . 0.0 110.039 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -87.61 -68.49 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.562 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.77 -173.15 44.12 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.58 90.21 0.74 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.184 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.12 112.38 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.364 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.8 t -72.48 163.69 27.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.524 0.202 . . . . 0.0 110.543 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.87 -29.05 70.46 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -61.86 -34.78 76.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -72.1 -38.12 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -66.27 -52.03 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.975 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 p -59.64 -41.31 90.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 p -69.11 -36.72 77.82 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 120.976 0.417 . . . . 0.0 110.924 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.409 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 57.6 m -67.14 -43.58 82.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.28 -49.5 79.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.07 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.183 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 m -71.22 -39.49 71.69 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.07 81.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.221 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.533 ' HE1' HG12 ' A' ' 117' ' ' ILE . 26.0 mtm -64.36 -41.95 96.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.299 . . . . 0.0 110.33 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -57.05 -50.69 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.582 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -64.1 -37.72 88.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.876 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.94 91.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.276 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.461 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 35.5 m-85 -60.47 -38.96 85.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.66 -16.84 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.569 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.1 mm-40 -98.37 -2.04 40.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 p -118.96 -59.52 1.85 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -118.09 -9.07 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.348 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.97 8.66 86.34 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.148 173.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 6.7 p -140.58 135.57 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.135 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.0 t -101.6 127.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.455 ' O ' HG13 ' A' ' 117' ' ' ILE . 50.7 t-20 -85.38 86.45 7.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.514 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 20.5 tp60 -60.59 -51.61 78.59 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.151 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.0 Cg_endo -52.49 -40.06 72.79 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.325 2.017 . . . . 0.0 112.464 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.483 ' O ' HG12 ' A' ' 120' ' ' ILE . 51.7 t80 -58.2 -44.26 88.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 110.871 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.533 HG12 ' HE1' ' A' ' 101' ' ' MET . 63.8 mt -71.66 -33.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.75 -9.04 58.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.955 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.66 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.054 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.483 HG12 ' O ' ' A' ' 116' ' ' PHE . 39.1 mm -54.66 -39.8 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.672 -177.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.4 p -58.82 -26.36 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -78.34 -50.84 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.925 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.15 -51.91 55.08 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 120' ' ' ILE . 60.3 t -57.26 -44.14 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.9 m -67.54 -45.59 75.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -51.06 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.19 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.73 -31.17 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.642 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.74 -58.69 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.51 -40.23 93.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.909 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.81 14.28 14.04 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -83.26 50.97 4.5 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.324 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.2 ptp -117.73 2.7 12.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.235 0.54 . . . . 0.0 110.448 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -129.44 153.46 47.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -85.47 25.08 1.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.229 0.537 . . . . 0.0 110.034 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.7 t 70.74 96.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.136 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.6 m 71.3 2.29 4.19 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.069 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.995 179.684 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -68.8 119.21 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.375 . . . . 0.0 110.361 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.24 19.96 63.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.069 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.19 -57.26 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -116.59 163.98 15.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -87.18 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -67.71 114.15 6.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -171.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.68 158.77 33.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.96 169.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.15 -13.31 39.22 Favored 'Trans proline' 0 N--CA 1.471 0.203 0 C-N-CA 122.194 1.929 . . . . 0.0 112.844 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.444 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.8 m95 -102.94 12.13 36.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.964 -176.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.4 p -63.01 -33.36 75.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.493 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -139.36 131.55 15.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.054 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.58 -42.03 71.92 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.954 2.436 . . . . 0.0 113.017 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.57 -42.3 72.95 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.97 -42.53 94.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.411 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.98 -48.36 80.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.893 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -54.57 -50.67 67.41 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.941 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -63.37 -47.08 83.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.671 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.12 -51.86 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.47 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.411 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 96.4 mmm -62.58 -38.0 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.688 -173.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -76.03 -41.87 49.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.348 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -63.04 -38.81 92.66 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.001 0.429 . . . . 0.0 110.304 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.31 -52.29 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.5 ttm -57.26 -54.55 45.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.317 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.34 -45.15 92.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.91 -31.79 79.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.618 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -73.07 -30.48 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.692 0.282 . . . . 0.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -67.29 -18.4 65.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.282 0.563 . . . . 0.0 110.0 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -91.94 -5.11 53.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.504 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 mtt -99.71 146.43 31.82 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.267 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.64 158.7 54.59 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.835 2.356 . . . . 0.0 112.774 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.67 -34.12 5.94 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.11 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 70.5 m-85 -101.54 176.56 5.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -153.65 162.94 40.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.38 -39.63 64.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -57.58 -44.61 85.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.319 0.581 . . . . 0.0 110.693 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' A' ' 85' ' ' GLU . 2.6 mp0 -70.83 -37.48 73.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.274 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 4.4 mm? -70.09 -26.4 63.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.472 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -64.22 -42.86 96.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD2' HD13 ' A' ' 80' ' ' ILE . 24.9 t70 -72.41 -34.4 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 109.967 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.7 mtt -62.45 -29.23 70.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 173.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.8 t -65.14 -42.09 94.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 85.0 m -59.2 -50.04 75.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.525 174.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 40' ' ' ASP . 64.6 mt -55.29 -53.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.474 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -53.01 -53.11 54.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.166 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.534 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 62.5 tt0 -62.59 -48.95 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.658 -177.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 t -60.44 -47.39 86.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.0 mmm -60.89 -46.76 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 0.0 111.278 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 45' ' ' ALA . 97.9 t -58.0 -51.22 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' NE2' ' HG2' ' A' ' 46' ' ' GLN . 49.4 mt-30 -59.06 -41.6 88.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.325 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -59.52 -35.08 73.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.14 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.0 -32.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.6 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 79.5 mm-40 -55.04 -53.17 59.22 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.374 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -72.16 -30.96 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.561 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.04 -36.35 83.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.85 -20.87 30.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 0.0 111.038 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.42 -53.15 5.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.595 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.78 25.24 4.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.116 0.484 . . . . 0.0 111.705 -174.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.58 -147.32 5.33 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.909 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -150.67 121.49 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 m -91.33 82.67 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.614 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -70.14 154.05 94.85 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.013 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.23 -28.14 32.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.93 2.42 . . . . 0.0 113.231 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -67.61 -28.85 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.394 . . . . 0.0 111.196 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 -175.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -61.08 -35.25 76.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.239 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.405 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 2.0 mp0 -77.89 -38.48 45.72 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.494 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.65 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -84.67 -33.39 23.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.862 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 28.6 p30 -75.32 -28.26 59.59 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.577 -174.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -82.37 -25.58 33.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 109.821 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.71 -56.97 9.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.428 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.7 p90 -69.6 -27.76 65.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.224 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.9 79.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.607 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -63.42 -46.34 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 17.2 m -65.69 -40.84 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 40.5 mtm -69.65 -25.47 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.84 88.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.413 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 76' ' ' SER . 10.1 pt-20 -72.64 -29.8 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.125 0.488 . . . . 0.0 110.144 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.494 HD13 ' OD2' ' A' ' 40' ' ' ASP . 64.4 mt -70.85 -41.08 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.282 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.49 -27.65 69.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.905 175.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 3.81 45.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 111.267 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 t -81.24 124.13 29.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.458 ' HA ' ' HA2' ' A' ' 88' ' ' GLY . 50.4 mt-10 -93.16 22.89 4.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.335 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 35.3 tt0 -83.08 132.63 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.32 -84.48 1.36 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.49 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.38 110.41 2.6 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 84' ' ' GLU . . . -70.02 -31.34 69.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.238 -0.506 . . . . 0.0 114.0 -172.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.4 m -80.78 128.25 33.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.072 0.463 . . . . 0.0 111.689 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.8 -28.54 68.85 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.717 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 m -55.67 -36.38 67.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.801 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 -25.75 53.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 19.6 mmtm -72.27 -51.03 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.6 p -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.986 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -59.16 -44.39 92.12 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.772 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 m -69.95 -44.62 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.796 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.3 mt -53.89 -47.51 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.156 0.503 . . . . 0.0 110.523 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.89 93.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.51 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -75.67 -38.66 58.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.315 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.62 95.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.339 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.402 ' HE3' HG12 ' A' ' 117' ' ' ILE . 25.6 mtm -67.57 -41.05 84.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 t -57.38 -51.03 71.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.6 t30 -61.18 -41.18 96.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.05 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.633 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.74 -41.07 97.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 111.236 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.8 -29.26 67.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.474 -177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -79.02 -26.18 43.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 111.091 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.2 p -96.59 -60.31 1.63 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.1 t -112.66 -20.18 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.55 -17.16 59.09 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.28 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.0 t -105.46 129.41 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -110.32 141.1 26.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.122 0.487 . . . . 0.0 110.572 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' O ' HG13 ' A' ' 117' ' ' ILE . 49.5 t-20 -101.38 96.94 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.173 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.43 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.5 tp60 -65.19 -45.92 72.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.024 -176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.43 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 88.5 Cg_exo -49.48 -47.13 23.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.056 1.837 . . . . 0.0 112.003 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 120' ' ' ILE . 42.6 t80 -55.57 -49.54 72.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.129 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 113' ' ' ASN . 79.2 mt -62.59 -40.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.205 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.68 -43.29 84.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.107 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.443 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 6.4 tp10 -58.79 -47.07 86.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.6 mm -62.49 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.333 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -62.33 -26.9 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.944 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -51.52 17.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 93.9 mt -56.93 -51.11 70.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.399 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -55.07 -46.45 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 t -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 0.0 110.345 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.4 tpp -75.17 -27.2 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.727 -173.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.72 -34.81 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.624 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.05 -52.33 29.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.902 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -80.38 -25.14 39.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.01 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.74 59.69 3.69 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.968 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.87 6.53 58.7 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.937 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.45 4.24 17.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 111.042 177.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -93.99 111.4 23.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.96 78.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 124.005 0.816 . . . . 0.0 111.028 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.77 129.61 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.512 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.3 m 62.79 21.53 12.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.329 0.585 . . . . 0.0 110.658 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.662 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.075 -179.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -167.65 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.81 -162.39 19.08 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.428 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -107.97 61.73 0.61 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.383 0.611 . . . . 0.0 109.724 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -153.8 161.87 41.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -77.89 116.25 18.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.1 m -72.15 134.89 45.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.416 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.38 152.49 42.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.055 177.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.02 -20.3 71.21 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.651 2.234 . . . . 0.0 113.931 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.7 m95 -90.73 7.07 41.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 0.0 111.435 -174.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -68.44 -32.14 71.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 111.445 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -130.59 134.11 25.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.768 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.74 -41.92 42.84 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.822 2.348 . . . . 0.0 112.509 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.66 -36.76 83.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.684 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.74 -43.37 89.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.79 93.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.761 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -63.12 -48.64 77.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.485 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.64 -38.54 90.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.051 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -63.86 -53.5 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.2 mmt -59.7 -39.56 85.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.911 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.49 -50.43 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.321 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -64.47 -38.85 92.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 110.51 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.592 ' CE1' HD11 ' A' ' 27' ' ' LEU . 38.8 t80 -58.58 -52.17 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.75 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ttm -55.43 -54.89 38.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.468 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.58 -44.0 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.408 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.31 -40.59 87.23 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.128 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD11 ' CE1' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -70.46 -36.12 73.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.993 0.425 . . . . 0.0 109.976 -178.385 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -65.53 -10.79 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.936 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -98.42 -8.78 26.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.292 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 61.9 mtt -95.42 161.61 27.32 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -176.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' HD2' ' HB3' ' A' ' 30' ' ' MET . 79.9 Cg_endo -79.96 179.56 6.13 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.447 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.24 2.18 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.125 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 96.1 m-85 -106.73 160.44 15.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.236 0.541 . . . . 0.0 111.437 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.96 157.0 21.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.214 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.31 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.157 0.503 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 23.3 p -64.28 -55.77 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.085 176.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.77 -30.98 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.282 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.4 -21.53 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.063 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' HB3' ' O ' ' A' ' 36' ' ' SER . 9.1 t70 -59.3 -43.39 92.61 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.211 0.529 . . . . 0.0 110.451 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.472 ' O ' HG13 ' A' ' 44' ' ' ILE . 12.0 t70 -69.54 -42.4 74.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.767 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -61.84 -34.81 76.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 109.604 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.9 m -69.06 -43.11 75.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.577 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 40' ' ' ASP . 72.4 mt -60.27 -39.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.91 -23.75 61.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.399 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -92.12 -52.77 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.476 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 t -58.84 -46.59 87.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.896 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -49.05 77.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.082 -176.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.0 t -62.28 -42.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -56.49 -40.18 74.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -61.19 -42.12 98.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.39 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.76 -29.79 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -59.26 -46.89 87.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.9 0.381 . . . . 0.0 110.468 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -74.96 -33.87 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.11 -54.84 39.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -14.76 61.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 111.621 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.38 20.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.974 0.416 . . . . 0.0 111.139 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -104.32 -0.29 28.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.99 -132.17 1.57 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.2 tmm_? -147.47 152.54 38.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.567 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 4.9 m -80.42 91.25 5.69 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.975 0.417 . . . . 0.0 110.557 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -71.65 159.57 85.11 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.19 -41.73 34.04 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.006 2.471 . . . . 0.0 113.807 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.13 -20.8 64.46 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -76.97 -36.8 56.21 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -68.03 -33.59 74.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.933 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.53 -1.31 55.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.912 0.387 . . . . 0.0 111.434 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.16 -46.45 4.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.095 0.474 . . . . 0.0 110.284 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.22 -28.4 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.855 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.05 -34.09 77.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 mtm -88.63 -29.41 19.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.164 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.25 -57.01 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.828 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.437 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.2 p90 -73.17 -20.88 60.8 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 -177.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.1 -36.41 66.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -65.24 -41.55 94.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.2 m -68.17 -32.6 72.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.437 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 52.9 mtm -80.28 -24.14 40.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.799 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.35 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.339 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 1.3 pt-20 -66.64 -33.73 76.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.139 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.53 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 57.8 mt -71.27 -41.21 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.108 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.575 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.93 2.49 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.628 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.0 t -96.83 90.15 5.14 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.53 88.61 7.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.435 0.636 . . . . 0.0 110.644 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' CG ' ' H ' ' A' ' 86' ' ' GLY . 16.4 tt0 -99.49 -170.82 1.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.988 -1.006 . . . . 0.0 108.951 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.412 ' H ' ' CG ' ' A' ' 85' ' ' GLU . . . -53.62 -20.1 11.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 114.061 0.384 . . . . 0.0 114.061 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.61 95.16 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.511 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.99 171.62 16.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.613 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 21.6 m -77.98 177.68 8.08 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.497 0.319 . . . . 0.0 111.003 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.521 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 9.1 tt -63.41 -30.22 71.39 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.727 0.298 . . . . 0.0 110.717 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 p -58.91 -27.38 65.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -93.52 -12.63 29.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.04 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 30.1 mmtm -77.95 -50.18 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.422 HG23 ' OG ' ' A' ' 125' ' ' SER . 23.9 p -71.43 -29.42 64.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.806 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 p -70.03 -38.31 75.84 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 111.357 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 p -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' A' ' 101' ' ' MET . 79.6 mt -52.99 -48.65 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.523 175.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.456 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.4 -48.29 81.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.498 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -68.08 -40.05 82.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.91 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.305 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.448 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 24.0 mtm -65.49 -39.59 92.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.818 0.342 . . . . 0.0 110.412 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.9 t -56.73 -52.78 63.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.463 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.508 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.3 t30 -64.86 -41.94 95.28 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.5 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.886 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -29.09 62.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 110.605 -176.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.11 -31.66 69.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.876 0.37 . . . . 0.0 110.945 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.508 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 16.9 mm-40 -76.07 -43.59 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.061 0.457 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -74.76 -58.98 2.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.809 -171.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.0 t -113.67 -13.11 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.028 0.442 . . . . 0.0 110.976 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.59 -28.18 10.66 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.068 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.2 t -104.68 138.3 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.7 p -118.82 142.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.809 0.338 . . . . 0.0 110.612 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -94.75 99.99 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.823 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.486 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.7 tp60 -64.62 -48.73 73.24 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.136 -177.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.6 Cg_exo -49.21 -45.66 28.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.261 1.974 . . . . 0.0 112.441 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.405 ' O ' HG12 ' A' ' 120' ' ' ILE . 57.4 t80 -55.06 -49.24 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.299 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 69.8 mt -66.29 -34.53 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -178.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -81.47 -7.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -92.23 -47.79 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.809 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.6 mm -58.8 -41.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.091 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.9 p -60.15 -28.69 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 111.364 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 126' ' ' MET . 83.9 mm-40 -79.73 -45.93 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.706 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.87 -52.82 63.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.256 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.26 -46.41 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.422 ' OG ' HG23 ' A' ' 94' ' ' THR . 22.3 m -64.12 -37.25 86.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.059 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.4 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -75.18 -47.71 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.006 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.07 -34.34 77.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.133 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.51 94.45 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -80.73 -27.81 36.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.25 -46.1 90.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.014 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.74 45.73 95.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.988 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 56.9 mtm -117.34 14.22 14.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.112 0.482 . . . . 0.0 110.888 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -9.21 40.51 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 172.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -146.07 94.29 2.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.011 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.2 p -73.25 -32.53 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.984 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.8 p -86.44 82.94 7.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.386 -179.702 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -66.62 144.14 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.8 0.3 . . . . 0.0 110.789 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.95 41.74 2.22 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -177.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -39.45 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.726 0.298 . . . . 0.0 111.353 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -94.48 4.08 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.943 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -109.54 32.88 4.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 109.752 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -58.13 114.46 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.362 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 10' ' ' TRP . 2.5 p -91.4 149.29 39.29 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 170.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.4 15.96 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.539 2.159 . . . . 0.0 113.248 -175.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.464 ' HB2' HD23 ' A' ' 66' ' ' LEU . 13.1 m95 -107.3 3.57 25.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.47 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 p -62.54 -32.5 73.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 111.778 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -133.94 127.86 19.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.542 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.93 -45.65 39.45 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.498 2.132 . . . . 0.0 112.227 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.1 -36.17 92.91 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.45 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.53 -43.93 72.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.45 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.38 -51.12 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -64.11 -37.28 86.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.461 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.18 -49.84 75.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.884 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.429 ' O ' ' HG2' ' A' ' 24' ' ' MET . 17.7 mmt -63.26 -40.71 98.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.652 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -58.47 -51.6 69.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -66.58 -35.31 79.89 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.83 -58.56 7.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.316 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 6.4 ptp -58.32 -44.63 88.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.581 -175.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' N ' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-30 -71.25 -39.37 71.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.956 -174.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.476 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.25 -39.26 88.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.71 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 tp -70.38 -31.02 68.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.427 . . . . 0.0 110.666 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' HD11 ' A' ' 38' ' ' LEU . 29.9 t -70.15 -6.77 36.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.055 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 t -107.39 -9.87 15.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.345 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 45.5 mtt -91.71 150.28 40.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.089 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.69 170.78 18.69 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.03 -38.23 3.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.308 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.78 -178.32 3.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.066 0.46 . . . . 0.0 110.939 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.527 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -144.86 173.46 11.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.41 ' H ' HG21 ' A' ' 34' ' ' THR . . . -54.95 -37.0 65.92 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.67 -54.26 49.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.471 0.653 . . . . 0.0 110.846 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.519 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 23.3 mp0 -67.01 -36.24 81.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.975 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 34' ' ' THR . 73.8 mt -70.84 -28.72 64.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.38 -40.4 81.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.204 0.525 . . . . 0.0 109.75 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.98 -46.06 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.637 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -53.94 -41.3 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.423 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -60.17 -38.34 82.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.3 m -69.98 -42.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.41 -44.27 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.932 0.396 . . . . 0.0 110.023 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' O ' HG22 ' A' ' 49' ' ' VAL . . . -54.21 -46.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.353 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.13 -52.61 54.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.571 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 t -60.93 -38.57 86.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.623 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.434 ' HE2' ' HB3' ' A' ' 69' ' ' LEU . 87.7 mmm -62.82 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.731 0.3 . . . . 0.0 110.45 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 45' ' ' ALA . 87.2 t -61.87 -48.07 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.197 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -56.4 -40.86 75.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.247 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -58.09 -49.08 78.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.8 -32.94 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -63.32 -52.0 63.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -65.16 -38.64 91.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.615 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.17 -44.62 96.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.279 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.22 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.318 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.56 10.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.58 -45.25 76.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.66 -90.06 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.01 -1.091 . . . . 0.0 113.043 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.55 162.76 39.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.995 0.426 . . . . 0.0 111.153 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.2 m -115.24 115.8 27.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.715 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 m -63.18 148.59 92.73 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.71 -34.24 83.25 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.922 2.415 . . . . 0.0 112.744 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.19 -25.94 64.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.48 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -63.7 -26.79 68.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.741 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.464 HD23 ' HB2' ' A' ' 10' ' ' TRP . 25.0 mt -71.92 -24.28 61.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.57 11.08 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.41 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.9 -41.67 3.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.789 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HB3' ' HE2' ' A' ' 48' ' ' MET . 72.8 mt -62.93 -30.06 71.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.205 177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -72.75 -33.49 66.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.013 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ptp -85.36 -9.92 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.025 0.441 . . . . 0.0 110.504 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 -58.15 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.6 p90 -70.1 -28.73 65.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.731 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -33.23 75.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.621 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -67.4 -44.31 79.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.245 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.5 m -69.48 -40.88 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 41.7 mtm -65.57 -28.7 69.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.966 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.26 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.448 . . . . 0.0 110.872 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -73.79 -23.53 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.71 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.519 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 70.3 mt -81.15 -36.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.163 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.41 -29.0 67.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.95 16.79 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.27 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.6 t -84.21 131.81 34.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 0.0 109.86 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.09 21.79 14.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.846 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.61 132.37 42.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.76 -84.52 1.0 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.246 -0.502 . . . . 0.0 114.331 171.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.29 56.59 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.392 -167.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.15 -135.87 35.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 114.752 0.661 . . . . 0.0 114.752 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.9 m -88.78 -169.59 2.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.195 0.521 . . . . 0.0 111.766 -171.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.8 tt -77.14 -22.0 53.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.878 -175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -56.6 -44.29 80.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.845 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.836 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 43.7 mmtm -64.23 -58.78 5.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.3 p -68.99 -30.22 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.851 -173.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.4 t -60.76 -43.1 98.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -69.93 -41.1 75.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -55.96 -43.94 76.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.421 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.42 72.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.957 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -77.94 -32.26 51.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.91 91.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.243 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.416 ' HE2' HG12 ' A' ' 117' ' ' ILE . 28.2 mtm -69.97 -38.4 76.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.421 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.2 m -58.38 -52.68 64.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.297 0.57 . . . . 0.0 110.125 177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.7 t30 -59.21 -38.06 79.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.175 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.36 95.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.981 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.405 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -79.2 -17.84 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.951 0.405 . . . . 0.0 111.086 -175.655 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.541 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 24.1 mt -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.159 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 9.1 mm-40 -80.75 -28.35 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.988 0.423 . . . . 0.0 110.74 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.405 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 6.9 p -83.54 -60.06 2.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.209 -175.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 t -110.75 -38.24 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.793 0.33 . . . . 0.0 110.74 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.13 -11.69 34.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.297 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -117.95 127.87 75.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.541 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 14.7 t -100.85 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.421 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 48.9 t-20 -88.4 101.0 13.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.128 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.52 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.8 tp60 -64.07 -51.62 61.62 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.838 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.1 Cg_exo -51.81 -40.47 65.88 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 121.99 1.793 . . . . 0.0 112.581 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.5 -48.92 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.217 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.416 HG12 ' HE2' ' A' ' 101' ' ' MET . 54.7 mt -69.62 -38.85 77.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.663 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.29 -31.37 72.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.69 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -77.57 -53.67 7.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.408 ' O ' HG21 ' A' ' 124' ' ' VAL . 27.9 mm -54.84 -49.21 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.5 p -56.85 -37.16 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.847 -175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.55 -24.43 22.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 34.2 tp -69.61 -42.45 74.36 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 120' ' ' ILE . 86.9 t -62.49 -44.98 99.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.882 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.2 t -58.89 -38.94 80.01 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.462 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -46.35 72.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.049 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -69.7 -24.64 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.73 -42.23 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.32 -29.69 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -111.01 86.18 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.95 16.12 5.74 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.054 -172.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.52 76.07 1.06 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.686 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -87.46 70.91 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.407 0.622 . . . . 0.0 110.048 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.15 37.71 2.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.675 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.21 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.102 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.9 m 60.15 30.7 20.11 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.406 -179.687 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -75.85 105.32 6.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.201 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 -127.01 3.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.966 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.74 -46.71 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.161 0.505 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -89.43 50.09 1.86 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.674 -174.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -140.65 20.29 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 109.875 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -69.65 -31.2 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 111.934 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.05 150.67 73.68 Favored Pre-proline 0 C--N 1.303 -1.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.075 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.62 -7.43 12.72 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.394 2.063 . . . . 0.0 112.24 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.462 ' HB2' HD12 ' A' ' 66' ' ' LEU . 6.4 m95 -95.4 2.6 54.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.861 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -72.63 -12.31 60.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.728 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -149.3 123.94 4.79 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.63 -36.86 82.64 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.095 2.53 . . . . 0.0 112.254 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.45 -37.67 69.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.875 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 mt -67.03 -47.31 71.78 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.99 76.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.017 0.437 . . . . 0.0 110.599 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.4 -56.5 21.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.802 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.435 ' HB3' HG21 ' A' ' 108' ' ' THR . 12.5 m-80 -62.3 -42.5 99.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.443 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.54 -52.39 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.919 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.0 mmt -61.5 -42.11 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.775 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -49.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.779 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -64.53 -40.2 95.18 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' CE1' ' HG3' ' A' ' 101' ' ' MET . 59.6 t80 -59.75 -55.85 29.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.059 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.0 ttm -57.19 -47.97 79.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 15.9 mm-40 -66.58 -47.6 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.516 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -65.63 -33.0 84.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.16 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 tp -73.22 -36.68 66.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -62.17 -19.69 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.021 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -98.45 0.62 45.58 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.563 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 57.7 mtt -94.56 143.53 26.42 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.34 140.09 62.54 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.824 2.349 . . . . 0.0 112.362 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -28.98 6.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.101 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -107.11 129.42 54.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 0.0 111.603 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.05 159.23 15.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.214 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.78 -33.62 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -55.66 -38.15 69.21 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.065 0.459 . . . . 0.0 111.08 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.86 -44.15 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.88 -25.46 65.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.417 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.99 -42.78 99.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.575 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.473 ' OD2' HD13 ' A' ' 80' ' ' ILE . 18.8 t70 -78.26 -40.19 37.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.363 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.6 mtt -57.64 -28.31 63.58 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 111.612 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.2 m -69.41 -49.48 54.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.356 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.83 -47.25 86.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.918 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.47 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -50.85 -51.3 52.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.792 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.26 -47.68 63.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.582 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.534 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 33.1 t -61.08 -35.48 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.018 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.97 -46.4 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.994 -0.441 . . . . 0.0 110.076 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.514 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.9 t -60.77 -46.03 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.2 pt20 -61.11 -36.76 80.58 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.247 -176.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -65.25 -39.67 92.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.006 0.431 . . . . 0.0 110.212 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.25 -30.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.128 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 80.9 mm-40 -61.3 -58.16 9.39 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -61.46 -27.8 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.374 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt -79.55 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.947 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.12 -22.2 63.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -19.44 62.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.085 0.469 . . . . 0.0 110.799 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -98.91 6.21 46.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.062 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.28 -49.71 4.28 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.692 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.586 ' C ' ' HD3' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -76.39 109.71 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -175.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.5 m -155.56 96.93 1.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.782 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 m -75.31 157.38 84.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.513 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -52.61 -28.73 38.16 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.828 2.352 . . . . 0.0 112.47 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -55.56 -36.86 67.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.2 mmmt -65.1 -41.85 94.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.104 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -72.9 -24.73 60.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -177.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -80.33 -25.88 39.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.561 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.9 -31.99 45.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.185 0.516 . . . . 0.0 110.427 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.2 mt -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.068 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -74.37 -25.93 59.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.439 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.6 mtm -88.04 -24.11 23.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 0.0 109.75 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.34 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.589 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.489 ' O ' ' HG3' ' A' ' 77' ' ' MET . 12.4 p90 -70.64 -30.43 67.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.485 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.83 95.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -65.64 -40.31 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.102 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -74.16 -29.13 61.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.489 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 39.7 mtm -76.78 -24.11 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.773 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.18 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.246 0.341 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.68 -35.82 79.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.473 HD13 ' OD2' ' A' ' 40' ' ' ASP . 58.5 mt -73.67 -41.16 55.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.771 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.864 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.15 6.73 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.451 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.2 t -65.71 126.04 27.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.034 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.65 -1.78 54.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.328 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.28 -43.56 86.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.63 136.77 8.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.02 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.23 -34.12 3.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.841 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.61 -86.32 1.52 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.851 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -94.38 -171.23 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mt -85.18 -14.24 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -174.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -47.9 -49.25 30.43 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.823 0.449 . . . . 0.0 112.133 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 m -83.2 -13.34 55.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.465 0.65 . . . . 0.0 111.086 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 3.1 mmmm -90.09 -46.92 8.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.617 -172.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.6 p -70.48 -35.18 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.977 0.418 . . . . 0.0 111.063 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -62.15 -38.7 90.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 p -75.74 -44.82 39.88 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -50.9 -53.04 15.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.875 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.28 79.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.898 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -76.41 -40.24 51.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.383 -174.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.42 92.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.15 0.5 . . . . 0.0 110.483 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.437 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 28.8 mtp -64.38 -41.34 96.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.06 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.0 t -61.93 -46.94 87.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.477 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.977 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.82 -42.5 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.051 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.195 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 84.5 mt -75.53 -29.65 59.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 23.9 mm-40 -77.54 -21.53 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.002 0.429 . . . . 0.0 110.729 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.435 HG21 ' HB3' ' A' ' 18' ' ' ASN . 16.2 p -98.76 -62.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -173.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.0 t -118.37 -20.38 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.754 -173.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.58 -2.1 53.17 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.629 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.3 p -133.76 134.54 56.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.975 0.416 . . . . 0.0 110.434 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.413 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 4.1 t -112.01 141.49 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.953 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -93.15 96.46 10.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.452 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.3 tp60 -67.6 -47.61 45.51 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.378 -175.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.3 Cg_exo -51.66 -43.66 49.36 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.993 1.795 . . . . 0.0 112.051 176.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.553 ' O ' HG12 ' A' ' 120' ' ' ILE . 61.5 t80 -52.01 -54.17 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.687 174.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.433 HG12 ' HE1' ' A' ' 101' ' ' MET . 75.5 mt -62.51 -41.21 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.488 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.446 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 89.8 m-20 -68.06 -24.28 65.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -91.33 -30.79 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.876 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 116' ' ' PHE . 26.5 mm -60.52 -45.55 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.548 177.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.9 p -59.76 -33.34 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 70.5 mt-30 -66.93 -50.43 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.425 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.42 -49.1 68.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.656 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.496 HG22 ' O ' ' A' ' 120' ' ' ILE . 86.3 t -54.36 -51.5 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.425 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 29.0 p -65.73 -38.01 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.316 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -44.77 82.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.351 0.119 . . . . 0.0 111.15 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -72.0 -28.36 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.64 0.257 . . . . 0.0 110.988 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.52 67.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 125' ' ' SER . 30.9 mm-40 -75.61 -44.53 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.079 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.69 30.33 15.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.317 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -77.8 5.59 52.07 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.026 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.36 -45.98 91.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 110.066 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -166.0 133.73 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.251 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -153.46 106.67 2.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.281 0.563 . . . . 0.0 110.413 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.88 -3.72 8.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.318 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.6 t -71.73 -32.96 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.406 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.889 177.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -76.62 80.73 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 111.107 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.0 67.61 3.36 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.612 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -77.96 -8.28 57.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -76.62 114.61 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.163 0.506 . . . . 0.0 110.63 -175.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.1 m -86.31 151.03 23.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.448 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 p -113.23 151.57 44.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.893 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.57 -16.85 43.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.377 2.052 . . . . 0.0 112.708 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.564 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.8 m95 -97.02 5.85 49.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -70.27 -12.5 61.63 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -151.21 126.42 4.78 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.444 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 52.2 Cg_exo -53.98 -33.46 72.78 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.021 2.48 . . . . 0.0 112.584 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.34 67.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.769 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.4 mt -64.2 -40.01 95.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.48 85.41 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.301 0.376 . . . . 0.0 110.688 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.47 -54.8 30.8 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.5 -44.16 93.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.197 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.51 -49.59 77.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.579 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.427 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 10.7 mmt -61.83 -45.59 93.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.46 -44.97 92.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.791 0.329 . . . . 0.0 111.358 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -64.77 -34.22 77.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.18 0.515 . . . . 0.0 110.482 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.72 -54.66 24.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.652 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.2 ptm -62.75 -38.55 90.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.945 -175.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.82 -42.25 64.02 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.942 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.481 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -67.62 -41.64 89.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.956 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.12 -32.18 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 0.0 110.775 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.4 t -66.25 -20.54 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.547 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 t -93.0 -7.27 46.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.477 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.7 mtt -97.2 153.75 38.35 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.55 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.45 165.41 31.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.702 2.268 . . . . 0.0 112.673 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.62 -37.87 3.32 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.907 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 55.6 m-85 -97.95 130.46 44.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 111.999 -176.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.7 161.57 13.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.26 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.4 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -61.15 -38.57 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.755 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.16 -34.75 42.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.564 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.08 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.64 -44.53 96.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.407 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -73.88 -39.3 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.06 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.15 -39.85 69.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.067 0.46 . . . . 0.0 110.708 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -35.35 79.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.544 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.4 m -68.79 -41.75 78.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -64.12 -19.33 65.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.214 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 43' ' ' THR . 11.7 pt20 -98.47 -50.65 4.22 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.991 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.9 m -80.68 -29.39 36.56 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -172.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.19 -42.3 99.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.277 0.56 . . . . 0.0 109.619 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.554 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 50.5 t -62.24 -48.63 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.351 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 52.4 mt-30 -56.57 -37.57 70.77 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -60.36 -46.02 91.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.248 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.38 -34.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.447 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 39.8 mt-30 -61.41 -29.43 69.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 110.632 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -86.73 -44.39 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.182 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.87 -43.83 98.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.82 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.26 -10.13 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.807 0.337 . . . . 0.0 111.527 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.55 -68.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.493 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -93.85 -14.28 26.29 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -174.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.33 -158.34 21.92 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.916 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -130.45 126.48 37.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.447 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 12.1 m -104.64 93.32 4.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.394 0.616 . . . . 0.0 111.076 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -83.71 160.3 58.93 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.053 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.08 -34.71 69.32 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.572 2.181 . . . . 0.0 112.411 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.09 -27.03 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.474 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -69.0 -37.21 78.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 0.0 109.883 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.564 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.9 mm? -69.55 -16.23 63.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -97.6 -8.2 29.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -101.63 -42.65 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.168 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -23.84 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.994 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -72.76 -26.7 61.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.222 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.416 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 15.7 ptp -94.38 -23.1 17.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.71 -55.52 26.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.783 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.499 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.3 p90 -71.67 -27.61 63.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.314 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.55 77.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.631 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -66.02 -37.79 86.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -65.58 -38.17 88.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 48.6 mtm -76.57 -28.75 56.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.01 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.7 -43.92 80.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.65 -46.02 90.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.06 -41.06 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.857 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.549 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -67.24 -39.61 86.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.498 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' HB2' ' HB3' ' A' ' 128' ' ' ALA . . . -92.19 16.38 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.168 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 m -73.0 135.61 44.98 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -75.25 100.78 4.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.09 175.88 10.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.717 -175.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.36 128.52 18.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.671 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.54 23.58 0.8 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.347 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.93 -162.81 54.0 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.611 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.2 p -101.42 -162.33 0.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.565 0.346 . . . . 0.0 110.846 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 8.9 mp -61.29 -22.6 65.01 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -53.29 -35.28 59.92 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.341 0.401 . . . . 0.0 111.28 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -91.37 -46.9 7.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.461 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.549 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.2 mptt -54.11 -60.65 3.04 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.8 p -60.38 -39.89 88.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.832 -170.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -61.28 -41.46 96.98 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 120.952 0.406 . . . . 0.0 111.203 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 m -68.34 -45.05 73.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.5 mt -53.46 -50.96 45.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 111.013 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.495 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -71.32 -37.88 71.73 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -173.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.21 87.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.9 mtm -67.44 -39.52 85.4 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.662 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -49.9 72.38 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.737 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.427 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.4 t30 -68.32 -38.74 81.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.469 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -50.17 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.88 -10.22 59.73 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.07 0.462 . . . . 0.0 111.28 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.45 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 51.7 mt -80.0 -24.98 40.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.358 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 30.0 mm-40 -81.7 -20.3 39.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.738 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 39.4 p -92.78 -63.57 1.21 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.021 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 3.3 t -114.23 -31.06 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.682 0.277 . . . . 0.0 111.21 -176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.93 -3.4 41.44 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.056 -1.068 . . . . 0.0 112.797 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.8 t -128.09 130.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.45 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 2.4 t -114.07 158.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.893 0.377 . . . . 0.0 110.272 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.457 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 46.4 t-20 -97.52 98.7 10.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.729 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.492 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.6 tp60 -64.93 -48.86 70.89 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.375 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.7 Cg_exo -52.64 -39.68 75.27 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.01 1.807 . . . . 0.0 112.074 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.535 ' O ' HG12 ' A' ' 120' ' ' ILE . 54.9 t80 -55.86 -55.96 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.448 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.57 -40.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.877 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -60.12 -52.92 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.33 -36.24 82.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 116' ' ' PHE . 23.5 mm -59.83 -45.65 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.98 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.8 p -62.52 -25.41 68.02 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.809 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -71.12 -56.67 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.36 -49.69 60.97 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.395 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.7 t -56.51 -46.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.7 m -67.13 -39.9 86.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -49.94 64.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.661 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.55 -39.28 93.48 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 111.291 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.463 ' HB3' ' HB2' ' A' ' 82' ' ' ALA . . . -67.46 -51.37 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.642 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -76.05 -37.93 57.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.087 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 56.0 37.56 28.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.171 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.25 -5.48 48.95 Favored Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.2 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.9 ptp -71.54 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.24 0.543 . . . . 0.0 110.59 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -81.68 102.12 10.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.399 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -113.52 75.66 0.93 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.189 0.519 . . . . 0.0 110.336 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.78 -3.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.44 0.638 . . . . 0.0 110.263 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -92.05 20.07 6.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.155 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.895 179.503 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.047 -0.421 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -67.36 -57.97 5.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.51 -101.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.008 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -85.98 77.15 9.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.106 0.479 . . . . 0.0 110.462 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -79.83 101.33 8.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.325 0.583 . . . . 0.0 110.228 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -126.15 23.93 6.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.576 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -63.09 -30.42 71.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.691 0.757 . . . . 0.0 111.045 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -147.61 151.21 38.83 Favored Pre-proline 0 C--N 1.308 -1.209 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.07 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.32 4.83 3.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.544 2.162 . . . . 0.0 112.515 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.434 ' HB2' HD11 ' A' ' 66' ' ' LEU . 15.8 m95 -106.78 7.11 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -71.08 -18.01 62.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.284 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -145.75 123.18 6.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.593 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.61 -35.61 77.95 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.072 2.515 . . . . 0.0 112.312 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.21 -37.73 95.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.765 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.44 -44.92 63.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.16 76.69 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.383 0.427 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.4 -52.81 62.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -61.42 -43.24 99.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.443 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.74 -51.73 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.946 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.552 ' O ' ' HG2' ' A' ' 24' ' ' MET . 10.9 mmt -59.4 -50.0 75.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -58.28 -37.83 75.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.367 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -75.01 -39.47 61.14 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.072 0.463 . . . . 0.0 110.539 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.485 ' CE1' HD13 ' A' ' 27' ' ' LEU . 31.1 t80 -60.63 -56.78 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.431 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.552 ' HG2' ' O ' ' A' ' 20' ' ' MET . 23.1 ptm -58.42 -44.23 89.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.471 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 14.3 mm-40 -72.85 -38.31 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.389 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 -35.5 74.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.752 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD13 ' CE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -70.25 -34.43 72.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 0.0 110.325 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.7 m -65.5 -17.12 64.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.159 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.5 t -91.64 -11.5 36.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.37 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.0 mtt -91.41 150.78 41.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.8 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.12 165.13 33.55 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.576 2.184 . . . . 0.0 112.553 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.84 -20.09 49.43 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.017 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 93' ' ' LYS . 82.3 m-85 -123.34 151.07 42.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.121 0.486 . . . . 0.0 111.029 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.459 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -112.81 160.35 18.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.636 171.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.84 47.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 111.234 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -62.15 -29.4 70.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 73.6 mt-30 -85.09 -43.56 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.24 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 34' ' ' THR . 1.1 mm? -66.69 -21.16 66.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.637 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.54 -46.27 80.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.623 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' O ' HG13 ' A' ' 44' ' ' ILE . 35.6 t70 -74.03 -36.87 64.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.247 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.5 mtt -59.4 -34.16 72.11 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -58.86 -45.48 90.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 109.861 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.549 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 93.9 m -67.54 -42.35 82.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.171 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' ASP . 73.7 mt -57.76 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.45 73.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.187 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.622 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.26 -33.2 75.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -175.267 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 t -84.22 -34.35 23.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.561 0.219 . . . . 0.0 111.283 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.22 -45.9 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 0.0 109.974 -178.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.33 -45.2 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.171 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 63.2 mm-40 -64.0 -32.01 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -61.98 -40.87 97.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.205 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -77.53 -32.5 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.525 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -73.14 -25.0 60.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.884 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 tt -72.33 -52.01 18.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.43 -2.94 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.15 -28.01 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.895 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -95.34 -15.45 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.994 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.88 -90.42 0.28 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.031 -1.081 . . . . 0.0 114.322 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.13 155.62 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -167.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 t -136.15 -43.77 0.64 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.886 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.0 m 73.03 147.89 0.12 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 123.371 0.668 . . . . 0.0 111.722 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.38 -29.23 23.17 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.055 3.17 . . . . 0.0 114.554 -172.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.6 -33.19 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.658 0.266 . . . . 0.0 111.621 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 -39.91 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.071 0.462 . . . . 0.0 110.702 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -71.85 -22.63 61.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.305 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.44 4.7 26.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.31 -34.13 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.072 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 85.8 mt -66.7 -27.83 67.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.008 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -66.8 -41.27 87.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.812 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -79.77 -20.25 46.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 110.316 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.79 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.096 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -70.29 -26.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.218 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.24 81.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.0 t -67.3 -30.29 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -70.96 -44.02 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.998 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 mtm -71.77 -24.22 61.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.74 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.73 72.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.188 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.12 -38.57 79.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.106 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 62.4 mt -74.79 -42.67 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.724 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.29 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.214 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' ' 128' ' ' ALA . . . -91.87 10.73 27.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 0.0 111.242 178.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -97.52 111.71 23.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.27 66.03 3.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' A' ' 86' ' ' GLY . 2.5 tm-20 -80.55 -79.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.003 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.405 ' H ' ' HB3' ' A' ' 85' ' ' GLU . . . -115.64 44.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 175.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.87 116.14 0.41 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.26 -99.66 0.25 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.63 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -51.87 145.36 9.91 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.511 0.672 . . . . 0.0 112.681 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.419 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.8 OUTLIER -68.67 -13.87 62.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.461 -177.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -49.26 -52.01 30.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.022 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -67.93 -40.25 83.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.1 0.476 . . . . 0.0 110.814 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.406 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 6.1 mttt -58.61 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.507 -174.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.419 HG23 ' CD2' ' A' ' 90' ' ' LEU . 2.5 p -61.19 -40.75 95.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.707 0.289 . . . . 0.0 111.379 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 m -60.5 -44.23 96.2 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.6 m -68.77 -45.37 71.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.5 mt -56.63 -47.68 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.023 0.44 . . . . 0.0 110.829 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.62 76.9 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.621 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m -68.76 -38.55 80.17 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -173.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.49 86.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.282 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.59 -39.4 91.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.0 t -59.22 -47.41 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.489 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -66.77 -44.54 81.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.11 71.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.95 -176.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.39 -16.87 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.961 0.41 . . . . 0.0 110.971 -175.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.456 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 19.4 mt -73.91 -30.84 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.42 174.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.48 -37.72 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.176 0.512 . . . . 0.0 110.462 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.2 p -75.75 -60.36 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.478 -173.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 t -114.37 -30.26 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.209 -176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.27 -14.76 58.12 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.062 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 4.7 t -118.62 120.46 64.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.456 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 2.9 t -114.88 151.2 16.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.924 0.392 . . . . 0.0 110.763 -177.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.454 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 52.6 t-20 -92.35 104.44 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.058 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.415 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 27.5 tp60 -65.01 -54.61 33.02 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.978 -175.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.454 ' HG2' ' OD1' ' A' ' 113' ' ' ASN . 3.0 Cg_endo -51.43 -39.76 63.6 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.237 1.958 . . . . 0.0 112.517 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.495 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.0 t80 -53.53 -53.28 53.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.507 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.3 mt -59.81 -41.08 84.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.093 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.53 -49.37 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.075 0.464 . . . . 0.0 110.335 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.429 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 32.8 tt0 -58.71 -37.83 76.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 116' ' ' PHE . 22.0 mm -60.4 -51.47 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.121 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -60.71 -32.4 71.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.163 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.1 -39.5 65.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.621 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 85.7 mt -61.99 -51.88 66.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.286 175.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.4 t -54.75 -48.22 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.574 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.7 t -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -48.04 77.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -176.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.83 -36.62 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . . . -68.09 -42.71 79.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.322 -178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.83 -47.05 64.21 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.472 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.91 27.91 11.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.608 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -87.7 57.29 4.41 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.042 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mmt -76.36 -37.82 56.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.302 0.572 . . . . 0.0 109.741 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -81.75 129.43 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.198 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -106.55 4.66 28.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.33 -12.56 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.0 m -98.75 -7.19 28.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 0.0 110.288 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.292 -178.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -73.76 -18.68 60.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 110.828 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.47 0.26 88.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.656 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -81.34 76.06 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 109.283 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -102.23 122.18 43.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.254 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -121.34 23.32 10.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.546 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -66.69 102.02 0.87 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.776 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -80.53 143.14 54.65 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.879 -178.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.61 2.68 1.46 Allowed 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.081 2.521 . . . . 0.0 113.104 -176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.486 ' HB2' HD21 ' A' ' 66' ' ' LEU . 8.2 m95 -93.5 1.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.614 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 p -59.76 -36.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -128.31 132.72 24.51 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.538 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.83 -32.22 96.78 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.48 2.12 . . . . 0.0 111.926 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.54 87.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.935 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.46 -38.44 91.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.435 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.08 -50.53 72.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.92 -48.97 79.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.942 -176.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -58.89 -48.76 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.445 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 7.8 mmt -60.02 -43.88 94.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.17 -42.9 75.26 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.649 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -68.6 -37.09 79.53 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.819 0.342 . . . . 0.0 110.652 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.445 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 53.2 t80 -62.74 -52.56 62.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.253 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.2 ttm -54.87 -52.55 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.48 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.81 -44.6 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.057 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.99 -23.56 74.42 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.481 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.5 tp -78.46 -26.48 46.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.93 0.395 . . . . 0.0 110.016 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -73.38 -14.02 61.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.065 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -89.43 -3.39 58.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.445 ' HG3' HD12 ' A' ' 27' ' ' LEU . 21.7 mmt -91.22 147.41 35.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.32 -17.31 24.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.152 2.568 . . . . 0.0 113.036 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.48 82.74 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.553 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' CE2' ' HD2' ' A' ' 93' ' ' LYS . 91.7 m-85 -114.1 157.44 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.096 0.474 . . . . 0.0 111.896 -173.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.46 154.69 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.85 51.61 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -60.57 -29.99 69.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -79.27 -33.45 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.219 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.7 -27.03 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.0 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.98 -37.78 88.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.54 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.62 -40.48 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.2 mtt -60.65 -21.13 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.02 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 t -60.46 -37.25 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 109.71 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.431 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 70.2 m -68.94 -43.54 74.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.571 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.32 -43.07 92.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.084 0.469 . . . . 0.0 109.953 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -57.26 -53.86 53.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.85 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.3 pt20 -64.75 -39.4 93.56 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.404 -175.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 t -63.13 -45.79 90.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.44 -43.07 95.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.779 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 45' ' ' ALA . 88.8 t -63.01 -53.3 48.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.207 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.46 -26.97 68.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 111.216 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -64.35 -33.23 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.88 -32.88 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -54.09 -46.28 72.03 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 p -74.01 -43.46 57.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.02 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.9 -43.12 95.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.646 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -20.79 55.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.332 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.57 -42.28 29.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.403 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.32 -15.94 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.563 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.8 -106.06 0.27 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.605 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.515 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 4.0 ppt_? -125.2 173.17 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.505 0.669 . . . . 0.0 112.551 -173.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.6 m -122.88 136.27 54.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.695 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -86.96 146.44 40.67 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.5 -27.79 83.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.47 2.113 . . . . 0.0 111.831 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -60.82 -31.67 71.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.703 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 47.8 mmtt -62.37 -44.27 96.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 10' ' ' TRP . 12.7 mt -69.01 -27.83 66.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -88.85 3.4 51.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.11 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.67 -42.29 3.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.508 . . . . 0.0 109.834 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.8 mt -65.36 -26.62 68.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.31 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -69.38 -35.71 76.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 110.918 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtm -85.29 -28.24 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.73 -58.6 7.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.89 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.485 ' O ' ' HG3' ' A' ' 77' ' ' MET . 17.2 p90 -67.61 -31.04 70.8 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.419 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.3 96.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.508 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.11 -41.11 97.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.388 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 m -65.21 -41.7 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.9 mtm -74.22 -24.81 59.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.046 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.03 80.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.797 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.09 -36.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.437 0.637 . . . . 0.0 110.124 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.13 -28.16 69.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.407 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.02 11.69 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.394 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.5 t -79.49 130.3 35.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.616 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.68 120.76 31.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -151.36 -166.13 2.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.936 -168.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.92 37.47 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.388 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -159.6 8.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.976 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.85 160.05 53.25 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.981 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 m -73.59 -176.74 2.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.555 0.217 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.69 -32.66 70.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.802 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.115 0.483 . . . . 0.0 110.48 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -79.95 -34.6 38.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.983 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 40.3 mmtm -54.1 -60.34 3.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.706 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 p -61.57 -40.58 95.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.418 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -35.07 77.75 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 m -70.9 -45.5 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.328 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.59 -50.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.209 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.432 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -55.26 -54.05 48.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.443 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -64.45 -39.09 93.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.256 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.69 -46.98 73.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 110.589 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.6 m -52.43 -53.28 47.34 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.546 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.7 t30 -64.7 -39.03 92.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.641 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.12 60.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -71.64 -17.27 62.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.977 -174.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.19 -20.1 60.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.675 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.2 mm-40 -91.1 -29.42 17.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 34.8 p -78.12 -57.91 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.852 -175.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.6 t -119.59 -23.46 6.57 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.384 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.38 -12.7 56.99 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.275 -0.964 . . . . 0.0 113.538 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.6 t -128.13 130.91 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 2.0 t -123.07 164.86 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.442 ' HB2' ' HB3' ' A' ' 116' ' ' PHE . 2.5 m-80 -100.12 134.08 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.938 -175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.506 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 22.0 tp60 -66.13 -50.66 49.79 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.694 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.506 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 23.5 Cg_exo -64.29 -34.26 56.33 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.778 1.652 . . . . 0.0 112.276 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.449 ' O ' HG12 ' A' ' 120' ' ' ILE . 75.2 t80 -58.26 -55.53 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.548 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 43.3 mt -64.88 -37.02 79.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -175.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -66.13 -47.87 72.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.135 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.656 ' O ' HD21 ' A' ' 123' ' ' LEU . 2.7 tp10 -56.17 -51.45 67.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.17 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.449 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.8 mm -55.27 -47.73 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.432 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.5 p -59.91 -28.53 67.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' ' 126' ' ' MET . 28.2 mt-30 -72.18 -49.8 32.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.656 HD21 ' O ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.8 -52.89 61.24 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.336 175.505 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 120' ' ' ILE . 92.0 t -52.32 -45.92 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 123.333 0.395 . . . . 0.0 111.063 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.9 m -65.1 -45.95 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.448 ' HE2' ' HA ' ' A' ' 126' ' ' MET . 32.3 mmt -61.95 -50.62 71.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.08 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.44 -31.94 73.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.457 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.45 -56.29 13.29 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.62 -42.95 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.82 85.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.294 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 72.37 39.37 57.25 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.868 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.9 ptp -165.17 158.73 16.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -92.17 156.35 17.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -82.54 -13.15 57.11 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.8 t -79.46 55.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.243 1.021 . . . . 0.0 109.356 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.1 m -155.8 17.64 0.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.362 -1.29 . . . . 0.0 108.891 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.109 -175.401 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -97.72 3.54 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.95 88.17 1.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.14 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.26 143.07 50.29 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -66.55 111.55 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.92 0.39 . . . . 0.0 111.076 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -121.96 106.29 11.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.45 HG21 ' HG1' ' A' ' 8' ' ' THR . 5.3 t -114.8 -17.65 11.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.025 0.917 . . . . 0.0 110.509 178.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.45 ' HG1' HG21 ' A' ' 7' ' ' THR . 1.0 OUTLIER -157.15 167.37 14.66 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.022 -175.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.09 -2.82 7.99 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.238 1.959 . . . . 0.0 112.387 174.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.544 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 13.2 m95 -102.9 1.8 34.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -3.51 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 111.463 -177.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.2 135.09 8.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.439 ' HG3' ' HB1' ' A' ' 56' ' ' ALA . 37.6 Cg_endo -67.51 -33.2 29.71 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.285 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.95 67.04 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.2 mt -67.4 -38.14 84.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.983 -0.108 . . . . 0.0 110.743 176.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.69 -53.11 60.6 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.46 0.475 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.317 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -68.59 -43.87 75.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.687 0.28 . . . . 0.0 110.507 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.78 -51.42 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.39 174.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mmt -58.23 -44.69 88.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.904 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -65.96 -46.49 77.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.297 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -63.64 -37.36 87.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.244 0.545 . . . . 0.0 110.42 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.14 -56.81 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.573 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -61.91 -46.35 89.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.824 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -67.66 -36.21 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -74.76 -34.09 54.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.052 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -74.89 -30.67 61.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.932 0.396 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 t -64.82 -17.04 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -101.97 0.59 35.49 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.442 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 65.4 mtt -94.85 150.57 38.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.65 0.262 . . . . 0.0 110.787 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.97 167.99 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 123.01 2.473 . . . . 0.0 112.73 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 -43.52 2.49 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.466 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -91.45 150.68 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.243 0.545 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.419 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -111.83 156.69 21.6 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.22 -33.8 54.42 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -57.42 -43.75 84.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 17.8 mp0 -65.17 -38.9 91.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.22 -27.92 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.361 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.63 -41.03 93.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 109.697 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.69 -42.63 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.746 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 mtt -63.54 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.714 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.9 m -63.55 -42.9 98.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.503 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.55 -41.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.16 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.85 -17.63 63.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.222 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.54 -57.92 2.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 110.732 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.489 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 6.2 t -67.59 -35.41 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.779 -170.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.433 ' HE2' ' HB3' ' A' ' 69' ' ' LEU . 94.2 mmm -64.74 -43.61 92.81 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.257 177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 70.8 t -67.18 -46.45 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.213 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.1 pt20 -59.86 -36.17 76.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 110.796 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -63.21 -39.26 94.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.206 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -80.0 -22.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.596 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.9 mm-40 -66.66 -49.7 65.33 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -66.71 -26.65 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.098 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 HD23 ' HG1' ' A' ' 61' ' ' THR . 9.5 tt -64.52 -36.54 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.074 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' HB1' ' HG3' ' A' ' 13' ' ' PRO . . . -66.9 -29.83 69.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.41 80.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.006 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -88.96 1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 -65.01 3.38 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.053 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 6.3 ppt_? -92.58 168.13 11.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.863 0.363 . . . . 0.0 111.882 -171.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.474 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 5.1 m -116.37 -62.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.35 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.41 ' HB2' ' O ' ' A' ' 61' ' ' THR . 20.3 m 79.48 131.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.444 0 O-C-N 124.212 0.945 . . . . 0.0 110.539 -174.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.44 -27.02 56.62 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.798 2.999 . . . . 0.0 113.976 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.21 -31.48 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.665 0.269 . . . . 0.0 111.379 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 61' ' ' THR . 23.3 mmmt -65.32 -41.3 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.544 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.2 mm? -70.41 -25.02 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.259 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -97.88 6.5 47.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.947 0.403 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.82 -47.2 3.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.252 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' HE2' ' A' ' 48' ' ' MET . 91.4 mt -64.27 -27.16 68.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.17 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.83 -29.26 23.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.65 -58.76 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.56 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.4 p90 -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.459 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.56 94.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.703 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 t -65.92 -41.46 91.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 m -66.97 -36.71 82.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.8 mtm -73.0 -28.97 62.69 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.811 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.45 -45.25 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.34 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.11 -37.14 86.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.497 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.75 -38.57 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -66.77 -35.63 80.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.501 -178.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.39 12.58 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.161 0.505 . . . . 0.0 111.497 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 t -88.61 123.81 33.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.49 52.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -169.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -82.8 -153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -49.96 100.25 0.04 OUTLIER Glycine 0 C--N 1.336 0.56 0 O-C-N 123.169 0.293 . . . . 0.0 113.057 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.59 -50.45 0.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.56 -75.74 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.418 -0.391 . . . . 0.0 114.068 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 p -53.97 137.56 39.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -169.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.474 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 tm? -81.79 -32.92 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.356 174.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -54.36 -42.93 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -71.32 -23.76 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.416 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 29.4 mmtm -66.36 -53.56 34.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.144 0.497 . . . . 0.0 110.315 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.5 p -64.29 -39.47 94.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.728 -173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.1 m -61.23 -39.95 92.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.902 0.382 . . . . 0.0 111.251 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -69.93 -45.28 67.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 77.2 mt -53.73 -44.87 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.809 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.28 -50.13 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.476 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -73.8 -36.63 65.02 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -173.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.22 84.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 30.7 mtm -68.32 -40.36 81.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.6 t -62.28 -45.2 94.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.841 179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -64.38 -36.34 83.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.928 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.43 93.98 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.613 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -65.29 -34.0 77.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.804 0.335 . . . . 0.0 111.433 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 82.5 mt -74.38 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.539 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.8 mm-40 -85.4 -31.14 23.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.53 176.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.1 p -88.31 -65.76 0.98 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.461 -172.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 5.4 t -115.42 -18.03 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.68 0.276 . . . . 0.0 111.402 -175.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.11 66.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.91 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.6 p -133.17 127.22 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.205 0.526 . . . . 0.0 110.661 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.443 ' CG1' HD11 ' A' ' 117' ' ' ILE . 4.2 t -110.92 145.68 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.857 -176.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.493 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.9 t30 -104.39 108.22 19.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.447 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.3 tp60 -69.95 -47.91 22.06 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.526 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.493 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 76.4 Cg_exo -52.2 -32.91 52.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 122.145 1.897 . . . . 0.0 112.424 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.459 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.8 t80 -62.03 -50.58 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.547 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.443 HD11 ' CG1' ' A' ' 112' ' ' VAL . 58.0 mt -64.89 -41.38 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.594 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.92 -47.41 85.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.259 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 7.6 tp10 -55.48 -50.51 69.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.188 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.459 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.4 mm -61.48 -47.36 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.794 -176.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.407 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 28.0 p -59.1 -30.46 68.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.522 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.98 -47.93 19.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.911 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -55.79 -52.4 64.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.249 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.7 t -57.89 -45.06 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.004 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -63.38 -31.7 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.321 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.4 mmt -80.99 -49.78 10.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.054 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.44 -33.69 74.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.165 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.79 -52.17 58.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -72.23 -28.21 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.444 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -87.23 -5.16 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 110.828 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -84.72 37.45 2.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.562 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.7 ptp -76.16 -20.84 57.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.028 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -170.77 137.47 1.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.26 70.88 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.814 0.816 . . . . 0.0 111.092 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 20.7 m -123.21 -4.08 7.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.41 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.8 m -89.17 -15.19 34.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.863 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.793 178.773 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 72.48 -46.28 0.64 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.647 0.779 . . . . 0.0 111.927 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.41 -142.73 3.69 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.548 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.1 118.23 20.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.832 0.349 . . . . 0.0 110.199 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -74.05 -10.04 59.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.504 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -75.31 85.95 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -127.37 141.6 51.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.642 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.5 153.93 40.24 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 13.58 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.54 2.16 . . . . 0.0 113.399 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.496 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 26.8 m95 -108.77 9.91 26.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.796 0.332 . . . . 0.0 110.621 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -68.16 -33.45 74.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.111 0.481 . . . . 0.0 111.382 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -125.15 135.77 27.28 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.825 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.43 -41.31 77.52 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.432 2.088 . . . . 0.0 111.637 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.64 97.16 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.16 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.3 mt -67.06 -38.14 85.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 122.526 -0.396 . . . . 0.0 110.657 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.119 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -65.09 -39.42 93.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.59 0.233 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.416 ' HB3' HG23 ' A' ' 108' ' ' THR . 82.4 m-20 -67.92 -44.71 76.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.796 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.97 -50.66 70.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.117 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.5 mmt -59.66 -47.37 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.827 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.78 -48.85 79.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.529 0.204 . . . . 0.0 111.171 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.36 -40.09 93.13 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.49 -52.74 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.243 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.506 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 43.0 ttp -56.81 -51.77 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.499 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -68.94 -40.47 78.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.173 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -36.33 91.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.892 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 tp -69.29 -27.03 65.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.463 . . . . 0.0 110.6 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -69.13 -19.89 64.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -95.06 -5.27 44.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.648 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 20.1 mmt -84.62 143.33 40.91 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -178.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.32 149.75 45.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.217 1.945 . . . . 0.0 111.278 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.31 -28.82 10.97 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.55 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -100.42 169.56 9.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.486 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -137.37 159.71 41.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.089 -175.199 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -43.01 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 t -59.48 -32.67 70.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.389 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.414 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 2.9 mp0 -83.93 -29.37 27.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.298 0.57 . . . . 0.0 110.863 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 34' ' ' THR . 72.2 mt -72.75 -20.09 61.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.144 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.92 -48.92 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.428 176.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.77 -39.71 87.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.814 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -55.24 -39.87 70.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.506 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 10.3 t -62.68 -40.23 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -63.11 -46.01 89.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.619 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.18 -43.96 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.39 55.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.956 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -94.34 -51.66 4.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 111.187 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.506 ' HA ' HE21 ' A' ' 50' ' ' GLN . 48.3 t -58.88 -48.53 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.244 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.487 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.8 -45.9 81.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.0 110.597 -175.08 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.29 -23.76 27.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.045 -174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 47' ' ' SER . 37.8 mt-30 -58.65 -31.13 67.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.4 t -63.38 -49.86 72.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.48 -30.11 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.767 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -62.88 -46.66 86.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.226 0.536 . . . . 0.0 110.493 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -76.63 -41.54 45.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.153 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.61 -41.02 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.114 -175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -4.03 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.85 -7.09 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.6 0.238 . . . . 0.0 111.133 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -145.41 -67.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.19 0.519 . . . . 0.0 111.376 -175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.14 16.44 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.426 -0.806 . . . . 0.0 113.627 -170.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.656 ' HD2' ' N ' ' A' ' 61' ' ' THR . 9.0 tpt180 -137.34 134.33 35.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.479 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.656 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 0.3 OUTLIER -91.33 -65.76 0.98 Allowed 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 120.491 -0.484 . . . . 0.0 112.246 174.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m 67.71 163.72 0.13 Allowed Pre-proline 0 CA--C 1.533 0.307 0 O-C-N 123.408 0.442 . . . . 0.0 109.95 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.11 -18.76 18.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.439 2.093 . . . . 0.0 112.485 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.84 -53.55 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.157 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' HG3' ' HA ' ' A' ' 61' ' ' THR . 27.3 mmmt -64.03 -32.64 74.26 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.145 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.496 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -67.31 -21.01 65.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.795 0.331 . . . . 0.0 111.047 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -101.27 5.76 42.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.61 -41.99 3.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.931 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.487 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 94.3 mt -65.63 -28.77 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.374 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -65.07 -39.82 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -83.04 -26.91 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.45 -60.77 3.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.77 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' O ' ' HG3' ' A' ' 77' ' ' MET . 11.9 p90 -70.38 -25.91 63.46 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.49 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.71 89.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -67.19 -37.34 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.376 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -67.92 -45.63 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.1 mtm -68.1 -24.89 65.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.209 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.518 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -67.75 -32.63 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.157 0.503 . . . . 0.0 109.921 -178.626 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.518 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 78.8 mt -69.1 -48.22 70.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.487 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.46 94.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.435 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.31 29.79 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.376 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -76.68 -9.86 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.134 0.492 . . . . 0.0 110.868 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 63.33 25.92 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.897 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.4 OUTLIER -84.38 -177.84 6.74 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.612 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.423 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . -60.15 151.35 38.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.622 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.61 23.5 5.94 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.134 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.84 -160.85 53.97 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.085 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.491 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 72.2 p -96.14 -164.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.581 0.229 . . . . 0.0 110.974 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 17.7 mt -62.75 -16.95 60.0 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.703 0.401 . . . . 0.0 111.874 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 t -54.83 -40.09 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.484 0.49 . . . . 0.0 111.183 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 m -99.73 -19.75 16.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.087 0.47 . . . . 0.0 110.908 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 89' ' ' SER . 47.6 mmtm -64.02 -49.74 71.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.152 0.501 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -69.59 -40.93 76.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.694 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -60.63 -45.02 95.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.824 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -66.57 -41.18 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.74 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.8 mt -55.61 -53.67 34.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 120.968 0.414 . . . . 0.0 110.603 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.413 ' HB3' ' CG2' ' A' ' 121' ' ' THR . . . -54.66 -49.29 70.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -68.32 -40.79 81.52 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.33 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.6 mtm -66.05 -43.02 88.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.154 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -56.18 -46.49 79.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.223 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.566 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.2 t30 -68.48 -46.09 70.64 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.32 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -43.16 94.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 0.0 110.32 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.94 -36.0 77.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.239 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -76.78 -16.72 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.606 0.241 . . . . 0.0 111.64 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.416 HG23 ' HB3' ' A' ' 18' ' ' ASN . 21.8 p -100.71 -55.27 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.1 t -116.46 -17.06 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.421 . . . . 0.0 110.872 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.15 -17.64 58.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.91 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.0 t -110.61 136.23 47.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 11.6 p -117.33 146.9 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.829 0.347 . . . . 0.0 110.259 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.42 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.7 t-20 -106.03 104.29 13.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.271 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.502 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.1 tp60 -66.21 -50.09 51.77 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.227 -176.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.502 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 76.5 Cg_exo -52.01 -41.84 61.86 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.843 1.695 . . . . 0.0 112.256 174.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.46 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.5 t80 -56.38 -49.07 75.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.216 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 79.5 mt -64.53 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.242 -177.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.22 -40.74 86.42 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.171 0.51 . . . . 0.0 110.108 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 45.2 tt0 -60.96 -48.21 82.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.2 mm -59.83 -50.68 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.014 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 4.1 p -59.16 -36.64 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 111.241 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -72.67 -39.49 67.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.2 mt -59.76 -49.49 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.364 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 120' ' ' ILE . 88.2 t -58.25 -39.57 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 m -60.94 -48.85 79.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -45.06 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -70.03 -15.05 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.25 -58.22 3.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 0.0 110.571 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.084 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.15 22.47 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.994 0.425 . . . . 0.0 110.533 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.28 51.44 4.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 60.4 mtm -112.98 55.74 0.69 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.038 0.447 . . . . 0.0 110.381 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -73.16 152.93 40.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.847 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 69.42 2.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.2 p -94.06 -27.14 4.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t -122.06 21.43 10.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 -177.556 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.546 ' HA3' ' OG ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.979 -0.449 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -106.13 15.07 26.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.03 -49.8 0.69 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.111 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.14 -24.52 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 111.36 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.546 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 9.1 m -64.98 -19.68 66.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.412 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -135.84 104.17 5.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.313 0.577 . . . . 0.0 110.777 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -62.31 125.32 23.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.499 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -107.88 162.17 20.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.641 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.05 -2.03 12.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.462 2.108 . . . . 0.0 113.164 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.475 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 18.4 m95 -98.05 6.09 47.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 p -66.83 -27.67 67.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.103 0.478 . . . . 0.0 111.876 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.97 130.68 17.65 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -56.08 -40.04 87.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.419 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.78 99.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.715 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 mt -66.27 -42.0 89.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 175.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.72 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.318 0.387 . . . . 0.0 110.714 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.48 -54.06 51.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.639 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' HB3' HG21 ' A' ' 108' ' ' THR . 17.9 m-80 -60.75 -44.25 96.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.301 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -58.84 -52.68 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.625 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 mmt -60.36 -48.77 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.87 -178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.33 93.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -177.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -67.46 -27.92 67.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.157 0.503 . . . . 0.0 110.578 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -69.56 -56.12 8.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.615 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.66 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.3 ppp? -66.97 -41.14 87.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.754 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 14.8 mm100 -71.25 -28.43 64.16 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.258 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.484 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -80.02 -38.74 18.28 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 27' ' ' LEU . 6.2 mt -63.76 -34.95 79.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.787 -0.706 . . . . 0.0 111.31 176.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.499 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 m -68.09 -11.11 58.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.183 0.516 . . . . 0.0 110.843 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -102.35 -5.31 24.33 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.571 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.6 mtt -100.26 145.21 29.86 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.506 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.7 153.12 69.59 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.338 2.025 . . . . 0.0 112.062 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.06 -28.88 10.37 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.461 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -108.5 129.13 55.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.148 0.499 . . . . 0.0 111.194 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.537 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -90.9 158.04 16.99 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.23 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -38.5 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 111.289 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -63.39 -23.59 67.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.502 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -85.27 -41.4 15.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.903 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD22 ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -66.45 -28.32 68.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.225 176.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.5 -43.72 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.024 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.33 -38.22 63.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 mtt -59.71 -33.53 71.73 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.894 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 t -59.8 -39.47 85.08 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.072 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.7 m -63.66 -45.46 90.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.94 -46.96 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.484 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -51.93 -58.46 6.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.774 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -58.87 -48.17 82.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.025 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.622 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 9.5 t -65.34 -34.96 79.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.769 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.7 mmm -65.88 -44.17 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.972 0.415 . . . . 0.0 110.207 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 45' ' ' ALA . 63.5 t -64.75 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.046 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.622 ' HG3' ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -62.5 -32.21 73.08 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.663 -175.623 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.94 -41.77 74.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.449 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.2 -32.07 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -63.62 -55.15 25.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 m -58.53 -38.67 78.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.177 0.513 . . . . 0.0 110.834 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.52 -54.01 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.724 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.46 -22.39 60.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.765 -175.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.113 0.482 . . . . 0.0 109.94 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.36 -39.0 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.765 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 -17.98 27.17 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.008 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 114.4 26.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.931 0.396 . . . . 0.0 110.548 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 m -145.87 114.08 6.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -81.15 146.07 57.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.366 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.32 -25.39 56.51 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.972 2.448 . . . . 0.0 112.865 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.3 -30.33 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.719 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 22.0 mmmt -62.46 -39.23 92.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.16 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.32 -25.69 67.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.248 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 3.51 33.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.896 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.58 -36.63 7.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 109.483 173.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 96.4 mt -61.3 -29.21 69.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.617 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -70.55 -26.4 63.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.0 mtm -86.08 -29.64 23.22 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.43 -54.55 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.749 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.525 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.9 p90 -71.68 -27.51 63.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.372 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.88 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.3 t -63.54 -39.94 95.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -71.11 -36.94 72.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.4 mtm -74.26 -22.92 59.1 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.876 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.53 77.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.93 -33.72 74.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.28 0.562 . . . . 0.0 110.691 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.44 -45.76 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.874 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.59 -28.69 67.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.325 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.28 15.37 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 111.301 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.6 t -78.36 136.67 37.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.42 0.629 . . . . 0.0 109.946 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.88 0.48 9.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.9 146.46 25.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.05 67.76 1.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.434 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.82 2.95 83.17 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.854 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.72 -87.03 0.21 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.59 -0.338 . . . . 0.0 113.289 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.9 m -63.34 168.19 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.851 0.834 . . . . 0.0 112.65 -172.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.11 -9.56 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -54.33 -46.33 72.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.016 0.436 . . . . 0.0 111.473 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -84.15 -14.17 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.396 0.617 . . . . 0.0 110.668 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -79.52 -61.05 2.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.281 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.0 p -63.11 -37.29 86.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.917 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -57.86 -42.12 83.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.451 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.1 m -73.5 -41.64 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.68 -50.51 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.095 0.474 . . . . 0.0 110.884 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.98 90.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.462 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.4 m -75.26 -36.88 61.18 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.229 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.04 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.138 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.442 ' HE1' HG12 ' A' ' 117' ' ' ILE . 32.1 mtm -66.28 -40.08 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.476 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.493 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 26.2 t -58.82 -51.5 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.9 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.42 -38.74 88.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.84 95.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.399 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -62.48 -43.94 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 102' ' ' SER . 81.0 mt -66.5 -26.97 67.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.374 -176.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -88.34 -20.36 25.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.639 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.441 HG21 ' HB3' ' A' ' 18' ' ' ASN . 12.0 p -90.86 -66.22 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.8 t -117.13 -2.98 11.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 0.0 110.257 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.44 -22.07 28.99 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.18 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 t -108.07 136.58 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.405 ' CG2' ' HA ' ' A' ' 102' ' ' SER . 14.2 p -108.61 150.97 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.353 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -104.25 95.58 6.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 0.0 110.072 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.527 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.5 tp60 -61.4 -50.2 84.17 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.036 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.0 Cg_endo -52.39 -39.58 73.11 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.34 2.027 . . . . 0.0 112.55 177.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.3 t80 -58.11 -50.37 73.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.442 HG12 ' HE1' ' A' ' 101' ' ' MET . 63.7 mt -64.1 -37.25 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.879 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.431 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 68.2 m-20 -65.18 -33.07 75.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.427 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.25 -44.04 54.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.5 mm -63.51 -39.6 85.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.555 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.9 p -61.63 -22.67 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.012 0.434 . . . . 0.0 111.286 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.48 ' O ' ' HG2' ' A' ' 126' ' ' MET . 61.0 mt-30 -81.06 -53.28 6.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.0 mt -53.03 -51.71 60.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.71 -44.51 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 0.0 110.691 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 m -69.43 -29.68 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 33.2 mmt -75.04 -47.78 27.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.715 0.293 . . . . 0.0 110.96 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -70.62 -29.75 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.06 99.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.811 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.434 ' C ' ' H ' ' A' ' 131' ' ' GLY . 47.5 mt-30 -81.69 -38.72 25.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.347 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 69.34 -37.08 0.36 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.544 0.738 . . . . 0.0 112.847 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 129' ' ' GLN . . . 127.46 4.65 5.75 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 12.7 ptp -121.82 143.62 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -144.48 85.06 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.642 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 59.67 16.17 5.25 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.86 108.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.4 m 62.78 27.34 16.02 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.596 -177.316 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 p -151.54 -179.48 7.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.87 86.27 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.335 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -118.03 -36.64 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.389 . . . . 0.0 111.058 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -77.28 118.07 19.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.541 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -97.03 41.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 109.902 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -80.82 155.29 26.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.588 -172.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.25 142.57 94.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.84 175.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.87 -23.81 73.79 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.789 2.326 . . . . 0.0 113.036 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.439 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.4 m95 -84.56 4.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.503 -173.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -65.42 -26.9 68.18 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -135.06 134.12 21.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.16 -36.71 93.78 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.484 2.123 . . . . 0.0 111.984 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.41 93.24 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.231 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.57 -41.5 72.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.82 92.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.758 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.68 -49.13 78.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -63.03 -49.62 73.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.096 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -55.14 -54.98 36.3 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.862 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.7 mmt -57.11 -44.45 83.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.038 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -66.43 -49.9 65.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.047 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 m -62.7 -30.41 71.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.236 0.541 . . . . 0.0 110.613 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -69.22 -55.89 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.559 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -63.97 -39.27 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.68 -19.68 61.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.028 0.442 . . . . 0.0 111.588 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -90.64 -39.87 5.79 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.8 mt -65.09 -34.11 77.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.892 -0.654 . . . . 0.0 111.93 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.12 -8.46 31.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.212 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -107.23 -5.11 18.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.526 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 55.3 mtt -97.22 145.22 29.25 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-O 120.667 0.27 . . . . 0.0 110.993 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.43 149.5 87.93 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.062 2.508 . . . . 0.0 112.863 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' HE3' ' A' ' 93' ' ' LYS . . . 109.62 -28.86 10.1 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.516 176.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -101.29 136.56 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.449 0.642 . . . . 0.0 111.641 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.457 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -102.14 161.18 13.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.69 63.39 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 118.152 0.433 . . . . 0.0 112.152 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -59.69 -40.48 88.02 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.957 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.457 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 15.8 mp0 -65.57 -46.85 77.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.92 -23.81 64.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.666 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.23 -46.64 85.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 110.233 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.466 ' OD2' HD13 ' A' ' 80' ' ' ILE . 23.2 t70 -72.26 -43.12 64.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.15 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 mtt -58.16 -36.38 72.93 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 90.2 m -62.28 -45.34 93.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.385 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' MET . 73.5 mt -59.08 -47.42 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' O ' HG21 ' A' ' 49' ' ' VAL . . . -52.17 -51.61 56.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.11 -57.75 11.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.344 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -35.19 79.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.691 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.441 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -66.15 -48.02 72.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.515 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 97.3 t -59.39 -45.53 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.56 -37.64 70.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -63.45 -41.71 98.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.621 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.81 -30.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.368 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.515 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 30.8 mt-30 -60.92 -49.61 76.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.316 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -65.31 -37.83 88.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.083 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.4 -52.98 62.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.1 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.99 -19.88 60.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.76 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.06 76.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 111.027 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -82.58 -16.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.504 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 35.11 78.98 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.499 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.49 114.85 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -141.66 150.11 41.49 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.42 ' OG ' ' HG2' ' A' ' 65' ' ' LYS . 58.4 p -130.02 159.63 69.2 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.69 -31.42 79.72 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.75 -33.68 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.038 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.5 mmmt -63.48 -42.49 98.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.1 mm? -66.21 -24.37 66.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.511 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 71' ' ' MET . 29.1 mm-40 -83.27 -35.8 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.651 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.62 -41.49 72.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.05 0.452 . . . . 0.0 110.236 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 90.4 mt -61.93 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.222 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.448 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 5.0 p30 -73.66 -23.61 59.87 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 35.9 mtm -84.27 -28.28 27.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.15 0.5 . . . . 0.0 110.001 176.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.4 55.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.715 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.484 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.7 p90 -74.16 -21.33 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 110.293 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.2 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.446 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 t -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.43 -43.6 76.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.972 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.2 mtm -68.6 -24.42 64.58 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.68 -0.237 . . . . 0.0 111.308 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.74 81.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.916 0.389 . . . . 0.0 111.294 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -77.45 -11.42 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.466 HD13 ' OD2' ' A' ' 40' ' ' ASP . 62.1 mt -86.94 -39.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 109.401 174.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.529 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -62.49 -28.59 69.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.088 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.33 12.02 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.63 116.58 29.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 176.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.38 26.76 4.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.543 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -66.84 143.06 57.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.873 174.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.39 -63.08 3.7 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.994 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.39 177.44 33.49 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.05 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.41 146.34 7.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.637 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -84.72 -174.73 5.44 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.99 -35.12 79.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 110.349 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -60.82 -32.07 71.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -37.3 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.319 0.581 . . . . 0.0 110.028 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.529 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.3 mptt -71.39 -52.19 19.99 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -60.77 -41.69 95.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -62.0 -36.41 81.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.526 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 40.4 m -71.95 -43.98 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.302 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.7 -44.88 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.61 -47.36 82.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.373 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -72.38 -38.87 68.38 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.044 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.1 80.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 36.0 mtm -69.48 -35.76 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 112' ' ' VAL . 22.6 t -60.02 -42.5 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.229 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -33.28 55.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.356 178.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.61 81.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -3.2 54.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.21 0.528 . . . . 0.0 111.069 -174.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 mt -84.1 -15.26 47.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.094 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -92.82 -3.54 54.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.645 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 37.0 p -104.47 -73.27 0.68 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 111.966 -176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.0 t -109.57 -20.46 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.22 0.533 . . . . 0.0 110.128 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.15 6.62 53.51 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.669 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.43 138.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.493 HG22 ' O ' ' A' ' 102' ' ' SER . 2.4 t -119.13 153.01 21.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.529 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.481 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 59.3 t30 -95.69 107.28 19.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.216 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.442 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -64.97 -47.64 73.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.442 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 75.8 Cg_exo -51.47 -39.92 63.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.033 1.822 . . . . 0.0 112.016 175.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.554 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.6 t80 -56.37 -53.55 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.404 HD13 ' CG1' ' A' ' 112' ' ' VAL . 62.6 mt -61.14 -38.84 80.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -64.52 -52.12 59.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 12.2 tp10 -60.54 -36.96 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.554 HG12 ' O ' ' A' ' 116' ' ' PHE . 24.5 mm -63.19 -48.34 88.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.128 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 39.9 p -62.13 -29.44 70.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.185 0.516 . . . . 0.0 110.468 177.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -65.99 -58.12 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.879 175.848 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -54.82 -51.21 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.817 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.456 HG21 ' O ' ' A' ' 120' ' ' ILE . 93.4 t -55.62 -45.65 79.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.655 0.264 . . . . 0.0 111.306 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 m -67.07 -34.22 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.935 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.405 ' HA ' ' CE ' ' A' ' 126' ' ' MET . 0.0 OUTLIER -78.41 -48.39 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 -177.342 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.39 -39.62 93.83 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.327 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.71 82.27 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.904 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -111.66 1.45 16.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.246 0.546 . . . . 0.0 110.477 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -88.67 57.3 4.13 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.902 -176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 61.5 mtm -86.64 41.64 0.96 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.99 79.23 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.483 0.659 . . . . 0.0 110.462 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -115.73 81.85 1.66 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.243 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.4 p -103.16 6.71 10.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.067 0.937 . . . . 0.0 109.396 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -89.76 -1.8 58.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.467 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.651 -0.69 . . . . 0.0 110.243 177.596 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.844 -0.503 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -78.87 105.75 10.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.97 149.04 43.9 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.544 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.98 14.01 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.744 0.783 . . . . 0.0 109.761 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -149.59 164.34 35.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.12 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -60.58 118.78 6.96 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 m -72.99 125.4 27.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 0.0 111.506 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.433 ' HB ' HD11 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -116.69 144.82 34.05 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.053 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD2' HG22 ' A' ' 8' ' ' THR . 29.7 Cg_exo -63.26 -4.15 6.09 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 122.82 2.346 . . . . 0.0 114.189 -173.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.448 ' HB2' HD13 ' A' ' 66' ' ' LEU . 4.6 m95 -97.1 12.67 31.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 110.459 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 p -63.29 -21.15 66.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 111.635 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -154.15 129.45 5.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.4 -38.37 52.89 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.157 2.571 . . . . 0.0 112.88 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -41.62 94.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.927 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -67.87 -40.32 83.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.004 -0.115 . . . . 0.0 110.879 178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.49 90.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 110.759 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.34 -48.74 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.49 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -62.67 -40.92 98.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.243 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.24 -53.65 55.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.789 176.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.22 -43.33 92.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.529 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.52 -45.98 90.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.44 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 m -68.61 -32.11 71.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.0 110.566 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.63 -55.3 21.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.769 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 ptm -61.3 -39.6 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -70.04 -43.95 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.736 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.453 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -70.15 -34.41 69.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.662 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -68.42 -12.73 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.334 0.588 . . . . 0.0 110.2 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -96.83 -1.8 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.383 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 42.8 mtt -103.52 154.96 37.48 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 122.267 -0.271 . . . . 0.0 110.89 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.25 155.85 33.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.6 2.2 . . . . 0.0 112.404 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.55 -35.27 4.82 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -102.56 148.04 26.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.225 0.536 . . . . 0.0 111.611 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.74 170.2 9.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.21 176.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.12 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -61.0 -25.01 66.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.562 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -97.06 -41.3 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.32 0.581 . . . . 0.0 110.512 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' HA ' ' HB2' ' A' ' 41' ' ' MET . 93.6 mt -67.09 -21.3 65.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.011 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.51 -37.56 78.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.635 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.63 -37.39 25.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.01 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.421 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 18.4 mmt -54.7 -43.99 73.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -33.37 74.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.302 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.2 m -69.87 -45.55 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.7 -47.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.443 . . . . 0.0 110.016 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.23 77.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.83 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 43' ' ' THR . 7.4 pt20 -82.73 -37.55 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.705 0.288 . . . . 0.0 111.296 -175.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -85.68 -38.15 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.44 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.2 -46.93 88.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.75 0.31 . . . . 0.0 110.534 -175.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.2 t -56.56 -33.35 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.52 -33.36 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.835 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.0 p -63.83 -40.83 97.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.093 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.4 mt -75.05 -31.88 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.366 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -60.09 -47.83 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -74.36 -32.4 62.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.7 -48.34 81.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.357 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.66 -8.22 56.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.28 -43.83 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.868 0.366 . . . . 0.0 111.231 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -90.44 -52.82 4.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.029 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -107.41 -131.47 6.64 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.451 -176.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.505 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.3 tmm_? -150.55 138.49 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.505 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 9.2 m -86.86 95.23 9.8 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.204 0.526 . . . . 0.0 110.639 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -77.57 156.52 80.72 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.256 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.51 -24.2 43.15 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.135 2.557 . . . . 0.0 112.669 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -70.85 -29.49 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.78 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -66.37 -37.5 85.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.226 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.61 -33.68 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -95.89 4.09 53.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.43 -40.25 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.156 174.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 96.3 mt -71.18 -26.87 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.489 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -69.66 -26.35 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtm -86.06 -27.45 24.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -57.0 14.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.752 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.485 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.6 p90 -70.24 -29.3 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.376 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.02 83.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.528 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -63.76 -28.76 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -80.13 -45.34 18.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.01 0.433 . . . . 0.0 110.211 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.485 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 46.1 mtm -67.41 -25.32 65.87 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.55 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.524 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.87 -34.28 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.9 mt -71.13 -40.15 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.486 0.66 . . . . 0.0 110.097 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.97 -38.81 92.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.523 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 128' ' ' ALA . . . -83.47 4.31 28.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 111.461 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 t -83.49 102.7 12.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -77.91 99.67 6.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.072 0.939 . . . . 0.0 110.394 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.6 OUTLIER -118.11 -173.36 2.44 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.419 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.472 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . -70.47 71.78 0.64 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.271 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.67 -38.63 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 121.298 -0.477 . . . . 0.0 111.995 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.53 175.75 21.36 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.964 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.604 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 13.2 p -82.11 -179.01 7.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.714 0.406 . . . . 0.0 110.764 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' CD2' HG22 ' A' ' 94' ' ' THR . 0.6 OUTLIER -59.69 -25.08 64.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.769 0.427 . . . . 0.0 111.291 -174.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 m -53.12 -52.01 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.855 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.8 m -73.47 -32.49 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.699 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.604 ' HG2' ' O ' ' A' ' 89' ' ' SER . 9.9 mmmm -59.58 -50.01 75.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.533 -173.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 90' ' ' LEU . 21.9 p -66.57 -37.4 84.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -61.58 -45.49 93.9 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.631 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 p -65.72 -39.95 91.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 101' ' ' MET . 82.0 mt -60.18 -45.69 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.999 0.428 . . . . 0.0 110.441 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.14 -50.36 73.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 -179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m -68.28 -38.04 81.29 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.217 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' N ' ' HE3' ' A' ' 30' ' ' MET . . . -59.9 -45.49 92.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 32.2 mtm -65.51 -42.94 91.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.808 0.337 . . . . 0.0 110.46 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -57.8 -54.21 49.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.09 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.6 t30 -60.53 -37.12 80.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.188 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.68 68.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.779 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.459 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.1 OUTLIER -74.74 -21.84 59.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.032 -174.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.82 -27.86 65.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.364 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 83.9 mm-40 -84.73 -23.59 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.018 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.459 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 37.2 p -89.95 -59.17 2.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.4 t -115.19 -23.99 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.092 0.472 . . . . 0.0 110.916 -177.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.64 -19.91 40.65 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.042 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.6 t -126.68 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.476 HG12 ' H ' ' A' ' 113' ' ' ASN . 1.4 t -106.7 -143.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.527 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 36.8 t30 -158.99 105.24 1.75 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.463 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 20.8 tp60 -64.44 -49.16 73.02 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.978 -171.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.527 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 43.3 Cg_exo -58.51 -21.48 54.6 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.841 1.694 . . . . 0.0 112.633 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.408 ' HB3' ' O ' ' A' ' 113' ' ' ASN . 35.7 t80 -74.38 -52.43 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 110.416 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.403 HD11 HG13 ' A' ' 112' ' ' VAL . 63.0 mt -61.45 -39.67 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.341 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.776 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 33.1 tt0 -83.14 -42.01 17.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.43 ' O ' HG21 ' A' ' 124' ' ' VAL . 30.7 mm -65.27 -44.45 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.003 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 13.2 p -57.59 -34.54 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.127 0.489 . . . . 0.0 110.789 179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.411 ' O ' ' HB2' ' A' ' 126' ' ' MET . 48.8 mt-30 -71.81 -45.53 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.419 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 99.3 mt -57.66 -49.89 75.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.43 HG21 ' O ' ' A' ' 120' ' ' ILE . 96.2 t -57.44 -50.67 76.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.8 m -64.98 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.131 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -73.95 -55.64 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.692 -177.406 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -62.65 -33.76 75.71 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 82' ' ' ALA . . . -63.44 -52.08 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 111.397 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -77.93 -23.87 48.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.556 -175.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.6 16.46 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -77.27 52.16 3.35 Favored Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.59 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.3 ptp -117.95 -6.55 10.97 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.355 0.598 . . . . 0.0 109.515 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -170.92 146.83 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.817 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -79.6 70.29 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.33 0.586 . . . . 0.0 109.791 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.3 t -83.8 106.55 14.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.438 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.3 m 57.74 77.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.45 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.099 177.63 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -64.26 117.19 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.726 0.298 . . . . 0.0 110.777 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.84 170.9 44.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.047 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -128.99 15.86 6.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.231 0.538 . . . . 0.0 109.81 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -62.44 140.75 58.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.795 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -92.52 105.49 17.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -65.18 131.53 46.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.752 -173.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.36 136.98 27.82 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.156 168.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.32 -15.21 48.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.54 2.16 . . . . 0.0 112.962 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 16.9 m95 -98.82 5.62 47.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.123 -175.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.17 -16.3 60.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.054 0.454 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -146.12 124.47 6.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.84 -40.34 85.65 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.044 2.496 . . . . 0.0 112.751 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.31 89.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.682 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.97 -48.96 66.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.43 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.16 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.41 -46.39 88.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.439 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -64.32 -41.46 96.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.048 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.1 -55.41 25.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.502 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.7 mtp -68.87 -31.9 71.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.488 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -69.16 -44.47 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.205 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 m -66.84 -37.2 84.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.102 0.477 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.25 -50.35 73.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.235 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.6 ttm -56.4 -55.22 36.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.838 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 13.8 mm-40 -65.03 -40.71 95.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.547 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.91 -37.62 83.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.157 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.65 -33.89 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.96 0.409 . . . . 0.0 110.794 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 t -66.01 -18.71 65.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -95.12 -1.23 52.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.455 ' HE3' ' N ' ' A' ' 100' ' ' ALA . 52.2 mtt -100.3 153.06 37.96 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.601 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.26 159.03 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.622 2.215 . . . . 0.0 112.382 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.512 ' HA2' ' O ' ' A' ' 87' ' ' GLY . . . 106.74 -35.48 5.01 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.816 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -103.49 146.36 28.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.412 0.625 . . . . 0.0 111.906 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.534 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 1.9 m -111.16 162.73 14.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.179 177.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.23 56.6 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.493 ' HB2' ' OE2' ' A' ' 85' ' ' GLU . 15.3 m -58.39 -45.75 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.496 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.564 ' NE2' ' HG3' ' A' ' 85' ' ' GLU . 41.8 mt-30 -65.66 -45.83 81.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.422 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD22 ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -64.43 -28.76 69.89 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.998 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.93 -46.17 85.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.992 0.425 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.01 -33.54 61.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.115 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.89 -38.74 70.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 170.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -36.52 84.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.138 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.683 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.7 m -66.58 -45.23 79.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 176.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.48 -40.49 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.109 0.48 . . . . 0.0 110.155 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -12.17 61.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.262 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.1 pt20 -100.57 -45.93 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.512 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -70.62 -40.55 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -49.02 76.15 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.435 . . . . 0.0 109.966 -176.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.97 -47.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.68 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 98.3 mt-30 -57.56 -33.18 67.86 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.291 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -63.99 -45.26 89.84 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.06 -29.76 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 110.543 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.94 -37.11 78.56 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.17 0.51 . . . . 0.0 110.363 175.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.0 m -83.17 -35.47 25.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.46 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.41 -59.09 5.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.58 -11.1 60.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.38 -36.61 16.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.258 0.551 . . . . 0.0 110.562 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -87.3 -39.14 15.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.645 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.76 -142.95 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.594 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.5 tmm_? -128.67 146.32 50.91 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.594 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 2.9 m -80.15 87.32 5.5 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.212 0.529 . . . . 0.0 110.515 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 17.9 m -71.76 160.54 82.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.575 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 5.2 Cg_endo -47.48 -38.15 27.12 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.522 2.815 . . . . 0.0 113.542 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -60.94 -34.04 74.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -66.24 -45.02 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.83 -37.76 74.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.967 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -76.56 -36.82 57.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.721 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 110.505 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.45 -32.88 72.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.845 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -70.56 -25.51 63.12 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.053 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.7 mtm -86.14 -35.69 20.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.96 -56.97 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.712 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -69.88 -29.75 67.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.411 -176.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.31 89.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -67.07 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -68.4 -46.36 70.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.338 . . . . 0.0 110.385 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -69.43 -24.98 63.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.96 83.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.976 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.98 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.91 -38.66 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.432 0.634 . . . . 0.0 110.338 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -67.49 -22.23 65.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.486 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.9 13.59 20.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.01 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t -80.0 131.52 35.82 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -92.01 12.42 21.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.087 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.564 ' HG3' ' NE2' ' A' ' 37' ' ' GLN . 5.9 pt-20 -90.75 145.9 24.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.66 -158.56 24.34 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.396 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.512 ' O ' ' HA2' ' A' ' 32' ' ' GLY . . . -107.48 163.48 13.11 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.991 -176.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.85 -177.71 52.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.863 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 28.0 t -115.2 -166.82 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -33.28 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -59.52 -40.81 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.318 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 m -65.59 -39.12 91.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.088 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.4 mmtm -60.77 -53.23 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.625 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.0 p -65.45 -37.35 86.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.977 -175.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.0 m -60.11 -42.72 95.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.303 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.4 m -68.9 -44.76 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.2 mt -55.16 -47.08 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.998 0.428 . . . . 0.0 111.05 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.407 ' HB1' ' CG2' ' A' ' 121' ' ' THR . . . -59.73 -40.72 88.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.462 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 m -76.97 -38.9 52.35 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.455 ' N ' ' HE3' ' A' ' 30' ' ' MET . . . -59.08 -42.22 89.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.515 ' HE1' HG12 ' A' ' 117' ' ' ILE . 33.1 mtm -66.88 -39.3 87.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.13 177.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.422 ' O ' HG21 ' A' ' 112' ' ' VAL . 14.7 t -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.245 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -66.59 -39.49 88.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.48 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.512 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 25.3 m-85 -64.15 -38.46 91.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.695 0.283 . . . . 0.0 111.307 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.45 -29.28 69.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 0.0 110.628 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.515 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 69.8 mm-40 -83.99 -21.36 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.16 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.0 p -100.05 -61.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.3 t -114.37 -9.26 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.981 0.419 . . . . 0.0 110.631 -175.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.39 84.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.024 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -136.89 137.48 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 102' ' ' SER . 58.9 t -87.64 125.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.462 ' O ' HG13 ' A' ' 117' ' ' ILE . 56.9 t30 -90.71 91.36 8.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.477 0.656 . . . . 0.0 109.997 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.482 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -60.89 -53.09 67.42 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.922 -170.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.85 -33.97 73.64 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.323 2.015 . . . . 0.0 112.426 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.532 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.0 t80 -64.38 -48.07 76.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.472 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.515 HG12 ' HE1' ' A' ' 101' ' ' MET . 49.7 mt -69.52 -31.21 48.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.229 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.36 -36.11 76.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.325 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.447 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.0 tp10 -72.13 -47.47 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.192 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -58.23 -43.43 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.567 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.407 ' CG2' ' HB1' ' A' ' 98' ' ' ALA . 1.4 p -62.08 -26.16 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.621 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -84.93 -37.65 20.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 88.6 mt -62.19 -51.19 68.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.379 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.429 HG21 ' O ' ' A' ' 120' ' ' ILE . 91.0 t -56.79 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.439 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 p -67.9 -42.64 80.86 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.043 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.548 ' HE2' ' HA ' ' A' ' 126' ' ' MET . 30.2 mmt -67.74 -44.99 76.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.655 0.264 . . . . 0.0 111.36 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -69.91 -15.98 63.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.202 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.82 72.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -85.01 -37.66 20.13 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.73 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -81.16 56.23 4.84 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.832 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.8 ptp -93.51 -13.3 27.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -143.13 88.39 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.325 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -179.28 107.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.475 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.92 -56.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.161 0.505 . . . . 0.0 110.556 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t -156.95 83.51 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.375 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.057 -176.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.979 0 N-CA-C 112.211 -0.356 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -59.24 -38.23 79.52 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.277 0.56 . . . . 0.0 110.685 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.78 171.58 39.04 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -72.8 -44.63 61.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.044 0.449 . . . . 0.0 110.149 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -94.11 88.24 5.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.088 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -131.63 122.01 25.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -148.04 -165.4 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.739 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.99 142.83 25.37 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.64 -16.85 51.0 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 113.13 -176.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -90.17 5.35 47.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.074 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -77.23 -14.88 59.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.147 0.498 . . . . 0.0 110.878 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -152.19 128.13 5.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.44 -38.61 53.87 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.306 2.671 . . . . 0.0 112.122 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.79 -36.27 93.1 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.097 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 mt -76.08 -38.87 56.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.42 0.152 . . . . 0.0 110.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.13 38.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.303 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.42 -38.46 89.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 110.704 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 14' ' ' GLY . 1.5 m-80 -66.74 -49.67 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.138 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.49 -51.26 70.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.235 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -59.43 -43.94 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -65.94 -45.36 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.151 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -62.95 -42.85 99.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.986 0.422 . . . . 0.0 110.432 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.69 -53.69 54.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.364 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 ttm -53.3 -50.53 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.655 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.64 -48.35 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -177.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.7 -40.05 85.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.235 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -65.4 -35.78 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.009 0.433 . . . . 0.0 109.872 -178.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -63.6 -19.98 65.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.794 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -91.73 -7.49 49.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.011 0.434 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.461 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 59.2 mtt -96.19 145.75 30.11 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.54 -179.81 4.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.012 2.474 . . . . 0.0 113.655 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 87' ' ' GLY . . . 95.89 -19.0 56.38 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.864 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -101.83 173.64 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.172 0.511 . . . . 0.0 111.107 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.562 ' HB ' ' OG ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -110.04 157.19 19.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 174.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.82 -29.59 62.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.562 ' OG ' ' HB ' ' A' ' 34' ' ' THR . 1.8 p -64.04 -38.56 91.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.673 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 45.1 mm-40 -65.75 -44.11 86.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.296 0.569 . . . . 0.0 111.057 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -68.17 -22.01 64.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.769 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.47 -44.97 77.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.478 ' OD2' HD13 ' A' ' 80' ' ' ILE . 19.2 t70 -71.78 -38.88 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.532 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.7 mtt -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -62.74 -39.03 92.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.049 0.452 . . . . 0.0 110.045 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.3 m -67.59 -40.99 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.735 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.52 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.13 -13.52 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.542 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -100.53 -55.26 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.788 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.581 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 8.6 t -69.25 -37.65 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.824 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -64.5 -42.14 96.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.325 0.583 . . . . 0.0 109.836 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.551 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 89.5 t -68.55 -46.94 79.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.366 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 47' ' ' SER . 4.8 pp0? -58.43 -33.25 69.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -61.36 -44.06 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.984 176.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -72.64 -36.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.551 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 11.5 mm100 -57.59 -43.48 84.67 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.159 0.504 . . . . 0.0 110.283 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 m -77.08 -36.16 56.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.797 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.25 -53.72 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.109 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.64 -22.98 63.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.6 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.44 85.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -83.45 -8.2 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.65 33.06 48.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.602 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HD3' ' N ' ' A' ' 61' ' ' THR . 1.9 tmt_? -139.32 128.8 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.433 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 25.6 m -149.0 -72.17 0.19 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.485 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m 72.61 152.95 0.15 Allowed Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 123.132 0.573 . . . . 0.0 110.97 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -57.04 -21.88 44.24 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.151 2.567 . . . . 0.0 113.708 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -57.18 -38.95 74.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.814 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -70.62 -34.66 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.689 -176.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.57 -35.45 80.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 110.247 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -78.34 -37.26 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.56 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.67 -47.71 65.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.964 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.6 -27.84 68.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.828 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.69 -33.7 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.9 mtm -99.22 -7.99 25.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.096 0.474 . . . . 0.0 110.706 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.45 -61.74 1.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.506 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -66.31 -25.54 66.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 0.0 110.732 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.75 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -74.7 -42.09 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -63.22 -43.45 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.417 0.627 . . . . 0.0 110.415 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mtp -70.57 -30.21 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.404 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.91 -49.4 63.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.464 0.477 . . . . 0.0 111.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -65.78 -30.68 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.214 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.478 HD13 ' OD2' ' A' ' 40' ' ' ASP . 68.8 mt -71.81 -44.28 68.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.42 0.628 . . . . 0.0 110.379 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.624 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.79 -26.97 65.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.163 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.22 19.25 19.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.957 0.408 . . . . 0.0 111.023 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 85' ' ' GLU . 3.1 m -72.12 116.83 13.0 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 121.244 0.545 . . . . 0.0 111.246 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.34 20.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.901 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 83' ' ' SER . 0.2 OUTLIER -69.98 -54.54 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.542 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.91 141.93 7.25 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.689 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 32' ' ' GLY . . . 100.82 6.17 52.71 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.387 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.85 -138.74 42.32 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.442 -0.408 . . . . 0.0 113.767 176.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.2 p -78.55 -162.29 0.35 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.082 0.553 . . . . 0.0 112.106 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -85.02 -0.53 54.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.523 -174.776 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -50.6 -65.96 0.47 Allowed 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.482 0.489 . . . . 0.0 111.657 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -73.43 -25.52 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.053 0.454 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 30.5 mmtm -63.48 -64.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.289 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.3 p -63.5 -34.25 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.325 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -63.74 -34.28 77.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.177 0.513 . . . . 0.0 111.33 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.461 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 39.1 m -78.11 -47.27 18.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.1 mt -48.73 -46.26 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.04 -54.39 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.447 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 m -66.39 -36.41 82.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.939 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.33 79.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.088 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.47 ' HE3' HG12 ' A' ' 117' ' ' ILE . 34.4 mtm -71.3 -38.9 71.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.332 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.9 m -56.0 -49.73 72.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -67.82 -37.89 82.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.33 97.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -29.29 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.655 0.264 . . . . 0.0 111.175 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.99 -34.93 77.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.0 110.641 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.17 4.63 47.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.797 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 18' ' ' ASN . 23.0 p -121.29 -59.36 1.72 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.808 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -109.18 -30.11 8.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.022 0.439 . . . . 0.0 110.082 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.46 35.27 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.719 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -123.54 129.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.422 ' CG1' HD11 ' A' ' 117' ' ' ILE . 10.6 t -91.17 146.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.616 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -104.06 98.51 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.536 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.2 tp60 -64.74 -48.02 74.05 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.81 -36.99 84.46 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.408 2.072 . . . . 0.0 112.391 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.504 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.2 t80 -57.87 -53.66 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.423 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.47 HG12 ' HE3' ' A' ' 101' ' ' MET . 59.0 mt -63.92 -38.97 83.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.16 -177.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 96.5 m-20 -69.17 -26.03 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.245 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.69 -39.57 20.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -60.99 -43.1 95.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -59.98 -28.3 67.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.962 0.411 . . . . 0.0 111.06 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.496 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 52.0 mt-30 -72.21 -56.56 5.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.75 -50.1 69.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.866 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.73 -37.28 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.4 m -78.5 -37.23 43.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.921 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.437 ' HE1' ' N ' ' A' ' 126' ' ' MET . 0.0 OUTLIER -71.98 -39.31 69.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -177.703 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -74.6 -23.16 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.64 0.257 . . . . 0.0 111.056 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.24 -56.41 20.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.44 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.51 -26.72 66.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.268 0.556 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.47 14.25 10.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.289 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.48 54.62 4.36 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.368 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 21.2 ptp -108.85 11.46 26.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -157.26 130.76 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.386 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -87.06 10.94 15.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -76.21 117.68 21.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.0 m 71.99 26.64 2.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.91 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.639 174.22 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -82.6 114.89 21.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 111.17 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.78 54.04 0.62 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.47 43.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.833 0.453 . . . . 0.0 112.176 -170.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -151.05 -74.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.117 0.484 . . . . 0.0 110.659 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -153.33 117.14 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.13 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -68.72 103.57 1.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.536 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.82 150.25 65.38 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.223 175.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.11 -9.19 18.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.739 2.292 . . . . 0.0 112.89 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.551 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.2 m95 -87.88 -0.92 57.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -65.69 -31.38 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.492 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -131.8 123.33 19.1 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.648 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.68 -38.11 65.55 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.255 2.636 . . . . 0.0 112.919 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.28 -36.04 60.02 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.744 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -68.72 -40.54 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.3 94.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.226 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.84 -54.17 45.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.507 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.459 ' HB3' HG21 ' A' ' 108' ' ' THR . 8.7 m-20 -60.17 -34.1 73.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.666 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.04 -50.94 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.69 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.36 -55.43 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -61.49 -29.93 70.29 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -65.08 -58.4 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.801 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -66.47 -33.81 76.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.15 -46.35 81.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.4 . . . . 0.0 110.583 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.445 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -71.0 -41.17 61.59 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.18 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.3 t -64.07 -16.16 61.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -103.87 1.62 31.65 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.428 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.2 mtt -99.19 147.82 33.79 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.556 0.217 . . . . 0.0 110.865 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.9 152.7 47.02 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.463 2.108 . . . . 0.0 112.469 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.55 -30.61 4.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -104.61 -178.08 3.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.314 0.578 . . . . 0.0 111.434 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 156.01 48.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.37 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -59.11 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.484 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.1 mp0 -73.06 -35.24 66.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 111.383 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.6 -29.29 68.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.65 -41.33 98.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.199 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' OD2' HD13 ' A' ' 80' ' ' ILE . 18.9 t70 -68.63 -43.09 77.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.239 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.4 mtt -59.7 -35.4 74.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.249 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -62.11 -28.02 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.221 0.534 . . . . 0.0 109.973 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.685 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.3 m -81.27 -41.14 22.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.645 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -34.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.315 0.579 . . . . 0.0 109.815 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.05 -14.8 61.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.848 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.685 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.2 pt20 -105.84 -44.33 4.66 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.749 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -68.07 -41.63 81.68 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.73 0.3 . . . . 0.0 111.695 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.415 ' HE3' ' HB3' ' A' ' 69' ' ' LEU . 13.1 tpt -63.39 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 110.45 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.531 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.8 t -64.02 -47.32 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 56.3 mt-30 -60.15 -35.73 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.655 0.264 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 m -60.95 -45.51 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.982 0.42 . . . . 0.0 110.129 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.27 -35.06 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.5 mm-40 -56.72 -26.82 57.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 176.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 m -97.63 -44.19 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.28 -51.9 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.591 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.27 -1.48 26.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.97 -66.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.469 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.31 9.93 18.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.9 -154.1 10.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.159 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 0.6 OUTLIER -132.1 118.03 19.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 m -101.55 -85.51 0.43 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.788 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 p 63.71 160.06 0.12 Allowed Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.751 -172.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.76 -33.8 33.68 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.368 2.712 . . . . 0.0 114.568 -173.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -59.86 -41.23 91.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.16 -19.8 63.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.445 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.551 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.3 mm? -69.56 -26.97 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.69 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -81.76 -26.11 34.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.483 -179.339 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.33 -35.76 35.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.002 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 ' HB3' ' HE3' ' A' ' 48' ' ' MET . 77.8 mt -67.55 -42.03 83.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 179.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.561 ' OD1' ' HA ' ' A' ' 67' ' ' GLN . 1.1 p-10 -74.89 -18.73 60.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.49 -173.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -94.32 -17.43 22.62 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.655 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.66 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -65.71 -23.61 66.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.29 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.574 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -35.03 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.548 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 5.1 m -70.42 -42.98 70.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.655 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.25 -24.09 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.798 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.79 -46.63 77.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.25 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 76' ' ' SER . 11.6 pt-20 -71.81 -17.01 62.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.484 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 66.6 mt -86.12 -41.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.155 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -72.57 -25.63 61.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.187 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.67 13.26 3.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 111.274 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.6 t -78.58 138.49 38.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.818 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.21 -15.11 61.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.98 141.82 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.155 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.18 1.3 89.93 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.7 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 125.46 136.96 4.62 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.52 61.35 4.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.39 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 p -165.21 158.99 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.64 0.257 . . . . 0.0 110.907 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.417 HD22 ' CB ' ' A' ' 81' ' ' ALA . 5.1 mt -85.19 -12.93 51.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 175.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -53.44 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -172.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.45 -33.01 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.473 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 9.6 mptt -65.18 -61.18 2.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.158 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -58.78 -35.31 72.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 t -68.23 -36.24 79.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.372 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -78.87 -40.86 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.191 -0.318 . . . . 0.0 110.617 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.1 mt -53.78 -46.25 62.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 110.376 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.8 72.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.748 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -75.99 -34.27 59.74 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -174.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.6 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.545 ' HE1' HG12 ' A' ' 117' ' ' ILE . 32.6 mtm -67.86 -42.08 81.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.473 177.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m -56.57 -47.39 79.61 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.245 0.545 . . . . 0.0 110.237 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.1 t30 -61.34 -44.67 96.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.784 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.56 98.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.614 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.404 ' HA ' ' HG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -74.33 -24.2 59.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.715 -177.809 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.73 -24.16 49.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 85.1 mm-40 -82.09 -25.32 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.002 0.429 . . . . 0.0 110.679 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.459 HG21 ' HB3' ' A' ' 18' ' ' ASN . 11.1 p -89.37 -61.59 1.67 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 t -120.67 -6.04 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 -176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.41 80.8 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.07 141.98 44.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.47 125.69 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.724 0.297 . . . . 0.0 110.779 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.504 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.2 t-20 -87.13 91.49 8.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.482 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.8 tp60 -60.25 -50.94 83.65 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.363 -174.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.482 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -53.62 -40.38 79.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 121.752 1.634 . . . . 0.0 112.382 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.2 t80 -58.92 -49.32 78.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.893 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.545 HG12 ' HE1' ' A' ' 101' ' ' MET . 48.7 mt -71.04 -32.23 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.961 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -71.89 -28.98 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.715 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 35.2 tt0 -79.88 -44.77 19.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.421 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -56.89 -52.47 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.4 p -57.7 -33.99 68.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.958 0.409 . . . . 0.0 111.568 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 126' ' ' MET . 34.5 tt0 -75.58 -44.54 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.2 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 86.2 mt -59.15 -51.05 71.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.023 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 120' ' ' ILE . 85.8 t -55.66 -41.39 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 44.7 m -65.81 -45.71 81.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.499 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 23.2 mmt -71.48 -41.26 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.651 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.86 -21.06 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.33 -30.25 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 125' ' ' SER . 26.5 mm-40 -76.66 -42.09 43.21 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -101.68 11.28 39.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.507 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.75 3.42 Favored Glycine 0 C--O 1.229 -0.214 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.486 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.8 ptp -108.07 -5.55 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.981 0.419 . . . . 0.0 110.568 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -165.6 163.11 19.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -80.23 57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.8 m -78.76 -35.59 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -115.61 10.98 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.343 0.592 . . . . 0.0 110.214 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.238 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -96.39 72.38 2.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.162 0.506 . . . . 0.0 110.444 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.69 44.49 0.19 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.916 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -70.67 -19.02 62.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.315 0.578 . . . . 0.0 110.089 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -164.47 -159.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.625 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -122.41 107.54 12.18 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 m -71.3 133.75 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.479 -168.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.67 151.54 42.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.4 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.63 -3.64 13.48 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.879 2.386 . . . . 0.0 114.165 -173.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.562 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.5 m95 -99.05 11.26 39.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.937 0.398 . . . . 0.0 110.619 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -71.68 -20.91 61.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.703 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -145.31 126.94 7.76 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.25 -35.31 41.49 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.644 2.229 . . . . 0.0 112.555 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.51 -34.22 63.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.307 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.23 -43.37 78.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.09 87.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.639 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.63 -49.51 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.477 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -60.26 -41.52 93.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.68 -49.07 74.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.745 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.436 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 mmt -58.86 -51.23 70.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.161 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.626 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.14 -49.79 76.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.121 -179.655 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -63.19 -32.59 74.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.075 0.464 . . . . 0.0 111.092 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -62.84 -52.43 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.109 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.694 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.626 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.3 mm-40 -56.93 -41.55 78.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.45 -39.77 21.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.27 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -33.02 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.133 0.492 . . . . 0.0 109.794 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' HA ' HD11 ' A' ' 38' ' ' LEU . 19.7 t -72.82 2.56 6.49 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.225 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -122.92 0.11 9.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.826 0.346 . . . . 0.0 110.448 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.459 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.3 mmt -87.92 144.0 34.14 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.17 171.26 18.44 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.513 2.142 . . . . 0.0 112.145 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' HA3' ' HB ' ' A' ' 92' ' ' THR . . . 93.68 -26.5 15.91 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.776 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -101.31 -177.56 3.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.603 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -141.22 164.35 30.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.3 -32.61 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.474 ' HB3' ' OE1' ' A' ' 85' ' ' GLU . 22.9 t -70.0 -49.19 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.582 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.489 ' NE2' ' HG3' ' A' ' 85' ' ' GLU . 42.6 mt-30 -52.44 -41.52 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 0.0 111.456 176.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 34' ' ' THR . 78.4 mt -68.82 -23.17 64.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.229 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.75 -40.73 79.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.43 . . . . 0.0 110.22 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.15 -39.22 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.099 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.0 mtt -59.86 -33.5 71.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.501 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -61.95 -31.63 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 109.834 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -74.87 -42.07 58.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.763 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.95 -42.93 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.957 0.408 . . . . 0.0 110.377 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -63.49 -10.62 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.714 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 25.6 tt0 -104.99 -58.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.051 0.453 . . . . 0.0 110.936 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 t -66.04 -34.84 79.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.039 -172.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.66 98.25 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.62 -43.75 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.837 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 10.6 mm100 -63.85 -29.66 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.237 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.9 -32.81 56.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.292 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.08 -55.83 29.66 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.369 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -61.8 -40.06 93.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.65 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.62 -57.08 14.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.385 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.77 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.542 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.53 -45.75 16.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -82.15 -28.75 31.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.732 -175.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.91 -140.68 3.1 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.309 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.607 ' HD2' ' N ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -123.17 162.95 21.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.607 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 3.1 m -85.54 -73.72 0.43 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -175.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.424 ' HB2' ' O ' ' A' ' 61' ' ' THR . 19.5 m 80.76 147.35 0.11 Allowed Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 123.331 0.652 . . . . 0.0 109.979 -170.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.42 -19.03 62.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.263 2.642 . . . . 0.0 114.097 -172.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.8 -38.65 91.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.803 0.335 . . . . 0.0 111.508 -177.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -65.81 -35.69 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.316 0.579 . . . . 0.0 110.381 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.562 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.417 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -94.2 10.7 32.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.454 0.645 . . . . 0.0 110.654 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.83 -47.34 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.919 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.67 -30.27 70.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.58 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -63.86 -34.24 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.7 mtm -85.32 -30.98 23.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.035 0.445 . . . . 0.0 109.859 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.38 -54.65 40.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.854 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -69.59 -28.04 65.62 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.174 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.87 87.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 m -65.61 -41.66 92.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.265 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.9 t -63.27 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.702 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 mtm -82.03 -23.9 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.944 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.73 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.036 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -29.15 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.753 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt -79.22 -45.62 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.84 -31.69 72.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.912 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 128' ' ' ALA . . . -100.13 22.13 11.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.265 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.644 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 27.1 t -67.28 170.36 7.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 110.03 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.82 -23.98 59.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.501 -175.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.603 ' OE2' ' HB ' ' A' ' 34' ' ' THR . 8.0 pt-20 -94.84 173.09 7.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.077 0.465 . . . . 0.0 110.94 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.69 40.07 93.86 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -176.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.46 -27.56 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.124 -0.538 . . . . 0.0 112.398 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.644 ' HA2' ' O ' ' A' ' 83' ' ' SER . . . 86.06 -2.06 87.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.599 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.5 p -115.12 164.41 14.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.936 0.398 . . . . 0.0 111.534 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.9 mt -87.52 12.41 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.896 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -50.95 -40.84 58.44 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.426 ' HB ' ' HA3' ' A' ' 32' ' ' GLY . 9.0 m -118.93 -15.17 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.05 0.452 . . . . 0.0 111.133 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -53.39 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -169.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.404 HG22 ' OG ' ' A' ' 125' ' ' SER . 29.5 p -67.03 -35.72 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -63.47 -44.4 94.55 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 53.7 m -60.13 -44.8 94.63 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.739 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.73 -47.29 91.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.864 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' HB3' ' CG2' ' A' ' 121' ' ' THR . . . -56.71 -55.72 30.5 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.184 -177.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 m -64.37 -39.29 93.59 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.389 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.17 88.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.411 ' HE1' HG12 ' A' ' 117' ' ' ILE . 33.0 mtm -68.26 -38.31 81.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.619 178.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.459 ' HA ' HG12 ' A' ' 112' ' ' VAL . 42.5 m -59.88 -46.35 89.59 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.085 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.4 t30 -70.0 -36.56 75.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.91 86.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.44 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -19.78 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.16 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.477 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 55.7 mt -74.21 -27.39 60.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.845 0.355 . . . . 0.0 110.496 174.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 66.5 mm-40 -85.04 -17.38 37.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.723 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.9 p -98.44 -59.82 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.4 t -113.65 -18.02 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.236 -176.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.17 8.29 63.16 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.011 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.8 p -147.48 145.28 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.477 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 2.5 t -121.79 155.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.072 0.463 . . . . 0.0 111.534 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -97.32 97.02 8.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.476 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.8 tp60 -65.6 -49.02 63.68 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.54 -173.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 50.7 Cg_exo -55.27 -39.12 92.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 C-N-CA 121.787 1.658 . . . . 0.0 112.085 177.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.58 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.9 t80 -54.51 -51.97 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.793 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.415 HD13 ' CG1' ' A' ' 112' ' ' VAL . 62.0 mt -65.26 -42.67 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.44 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.45 -17.8 63.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 34.4 tt0 -88.81 -40.77 12.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.197 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.58 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.1 mm -58.62 -44.32 89.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.468 ' CG2' ' HB3' ' A' ' 98' ' ' ALA . 19.5 p -55.4 -36.75 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.059 0.457 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -81.88 -37.31 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.375 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 89.4 mt -56.76 -51.34 69.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.8 -41.73 83.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.404 ' OG ' HG22 ' A' ' 94' ' ' THR . 46.2 m -64.57 -47.79 77.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.557 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -25.23 40.9 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -77.62 -39.1 46.43 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.545 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.432 ' HB3' ' HB1' ' A' ' 82' ' ' ALA . . . -69.52 -33.9 73.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.033 0.444 . . . . 0.0 111.577 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -96.69 -57.41 2.3 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.416 -178.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 68.22 -52.49 0.54 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.892 0.745 . . . . 0.0 111.521 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.26 -62.01 0.49 Allowed Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.489 ' SD ' ' N ' ' A' ' 132' ' ' MET . 0.0 OUTLIER -85.11 -51.8 6.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.426 177.124 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 132' ' ' MET . 16.0 t-20 173.91 136.66 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.676 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.39 18.11 3.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.478 0.656 . . . . 0.0 109.77 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.08 -35.33 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.362 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.5 m -100.96 76.53 1.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.467 -173.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.538 ' HB ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HD2' HG22 ' A' ' 8' ' ' THR . 23.8 Cg_exo -65.04 -4.25 8.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.798 2.332 . . . . 0.0 113.735 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.3 m95 -95.58 7.24 46.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.582 0.229 . . . . 0.0 110.829 -177.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.6 p -63.04 -36.04 82.25 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.018 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -126.92 130.86 23.71 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.365 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.447 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 20.1 Cg_endo -60.67 -33.99 92.63 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.505 2.136 . . . . 0.0 112.101 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.63 -35.89 44.98 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.079 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.06 -41.0 91.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 20' ' ' MET . . . -57.14 -44.72 83.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.86 -56.21 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.353 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -43.98 78.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.983 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.6 -53.08 57.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.492 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.549 ' CE ' ' HA ' ' A' ' 45' ' ' ALA . 53.6 mtp -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.165 -174.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.64 -54.5 45.73 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.737 0.303 . . . . 0.0 111.018 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 m -60.02 -34.79 73.84 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.097 0.475 . . . . 0.0 110.406 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.83 -58.5 8.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.045 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.52 -30.94 71.76 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.438 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.14 -50.97 43.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 0.0 110.978 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.8 -37.47 84.14 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.735 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.74 -30.93 71.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -61.87 -26.37 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -90.68 -6.16 54.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.1 mtt -93.02 152.17 41.17 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.398 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.0 178.52 6.78 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.624 2.216 . . . . 0.0 112.447 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.8 -39.44 3.11 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -100.15 155.52 17.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.12 0.486 . . . . 0.0 111.587 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.446 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -115.18 155.89 26.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.6 63.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 20.2 m -62.29 -30.45 71.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 19.4 mp0 -82.42 -36.76 26.35 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.2 mm? -64.4 -30.23 71.27 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.937 0.398 . . . . 0.0 109.945 175.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 36' ' ' SER . 13.5 t70 -56.71 -39.86 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.716 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.19 -38.56 31.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.1 mtt -60.15 -31.35 70.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.337 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 t -60.12 -41.93 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 92.8 m -67.21 -41.39 85.87 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.716 176.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.09 -41.8 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.0 109.918 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HA ' ' CE ' ' A' ' 20' ' ' MET . . . -61.28 -52.79 63.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.78 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.633 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.31 -33.75 76.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.098 -177.778 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -70.16 -51.8 28.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.886 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 85.5 mmm -60.57 -46.15 91.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.139 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 45' ' ' ALA . 85.9 t -58.19 -51.87 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.46 -35.6 79.81 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -60.32 -49.28 78.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.954 0.407 . . . . 0.0 110.234 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.27 -32.0 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' A' ' 13' ' ' PRO . 69.2 mm-40 -56.42 -53.94 51.51 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.849 0.356 . . . . 0.0 110.513 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 t -67.38 -38.32 84.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.749 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.289 -178.299 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 N--CA 1.46 0.045 0 CA-C-O 121.024 0.44 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.64 -37.56 79.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.542 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -64.3 -36.53 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.435 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.63 12.13 13.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.351 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -119.61 -45.29 2.51 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.195 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.68 -27.45 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -65.55 -34.44 78.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 18.4 ptp -91.32 -17.12 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.323 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -57.46 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -71.0 -21.16 62.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.028 0.442 . . . . 0.0 110.327 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.44 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.253 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -71.13 -40.02 71.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.749 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -74.25 -22.34 59.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.9 mtm -86.87 -23.55 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.188 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.89 -26.58 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.672 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.1 mt -83.62 -37.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.403 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.75 -32.3 73.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.657 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.194 178.431 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 10.1 tt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.874 0.368 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 m -58.72 -28.9 66.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 m -86.66 -17.13 34.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.51 0.671 . . . . 0.0 110.776 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.2 mmtm -75.88 -57.32 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.39 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.8 p -66.21 -33.84 76.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.247 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 p -66.48 -39.04 88.54 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 120.988 0.423 . . . . 0.0 111.168 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -69.6 -44.4 70.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.108 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.39 -46.33 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.531 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.71 -46.8 83.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.52 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -72.94 -37.59 67.1 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.2 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.45 92.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.223 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.7 mtm -66.09 -40.36 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.416 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -59.13 -54.59 45.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.501 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.0 t30 -62.25 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.007 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.28 71.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -24.69 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.0 111.553 -175.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.549 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 38.7 mt -69.02 -30.26 68.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -82.96 -26.06 31.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.655 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.7 p -88.44 -59.65 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.167 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.3 t -119.97 -8.79 9.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.771 0.32 . . . . 0.0 111.27 -175.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.53 63.15 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.239 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 109' ' ' THR . 33.4 t -120.15 135.05 61.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.549 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 18.6 t -105.21 145.42 13.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.849 0.357 . . . . 0.0 110.792 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.19 94.78 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.058 0.456 . . . . 0.0 109.833 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.5 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.9 tp60 -63.23 -48.19 83.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.223 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.0 Cg_exo -50.18 -43.31 43.54 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 122.047 1.831 . . . . 0.0 112.169 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.44 ' O ' HG12 ' A' ' 120' ' ' ILE . 37.9 t80 -57.71 -50.4 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.136 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.506 HD11 ' CG1' ' A' ' 112' ' ' VAL . 80.6 mt -61.39 -38.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.764 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 79.1 m-20 -69.44 -43.97 72.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.012 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.35 -46.94 85.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.9 mm -61.39 -47.54 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.6 p -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.318 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.764 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.1 mm-40 -69.97 -49.0 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.35 -53.03 62.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.373 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.2 t -56.14 -49.55 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.292 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -34.68 76.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -53.21 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.54 -177.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.58 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.517 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 111.428 -178.631 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.227 -0.094 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.72 -12.54 22.13 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.278 1.985 . . . . 0.0 112.129 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.9 m95 -93.05 1.46 57.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.3 p -69.63 -20.67 63.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.182 0.515 . . . . 0.0 111.255 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -143.53 123.83 7.81 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.523 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.74 -41.87 66.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.94 2.427 . . . . 0.0 112.449 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -33.25 84.67 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.799 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.56 -43.79 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.846 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.14 -53.09 62.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.672 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.521 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.3 m-80 -60.01 -39.31 85.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.289 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.62 -50.87 70.83 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.508 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.41 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 20.3 mmt -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.379 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -59.19 -47.54 84.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -67.96 -43.31 79.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.34 -57.49 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.262 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -59.02 -41.35 87.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.6 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.9 -52.71 63.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.379 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.75 -38.17 85.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.608 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.3 tm? -65.16 -35.1 80.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.451 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.6 t -65.57 -13.77 59.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.0 t -101.43 -8.76 21.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.793 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.8 mtt -87.03 149.23 47.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.943 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 160.09 40.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.748 2.299 . . . . 0.0 113.005 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.42 -29.84 10.84 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.389 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -101.73 155.8 17.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 111.551 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -113.18 162.83 15.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.243 176.105 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -41.09 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -38.83 75.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.863 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 69.8 mt-30 -76.04 -40.22 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' SER . 85.6 mt -67.24 -30.59 70.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.99 -33.79 76.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.76 -39.61 61.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.157 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.4 mtt -60.43 -32.02 70.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.404 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -59.69 -39.7 85.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 109.852 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 98.8 m -69.71 -40.27 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.738 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.46 -43.95 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.064 0.459 . . . . 0.0 109.992 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 20' ' ' MET . . . -56.85 -50.02 73.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.048 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.2 pt20 -70.47 -29.68 66.29 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.447 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -74.75 -46.99 33.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.4 mmm -61.13 -44.25 97.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.255 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.9 -48.42 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.166 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.5 -35.05 79.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -66.79 -22.71 66.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.096 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.21 -30.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.263 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.12 -56.2 20.38 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -69.81 -25.84 63.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.78 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.22 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.3 m120 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.83 0.348 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.4 mmmt -64.02 -46.0 86.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -58.28 -28.23 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.21 -44.29 13.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.853 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.91 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.0 110.731 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.0 mt -70.0 -34.78 73.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.172 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -76.36 -22.44 54.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.406 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.1 mmt -67.81 -46.85 70.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.227 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.11 -60.69 3.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.275 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.5 p90 -67.05 -30.77 70.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.901 -174.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.3 78.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.79 0.328 . . . . 0.0 110.529 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -67.4 -43.9 80.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.885 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -65.75 -41.37 92.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.4 mtm -68.4 -29.11 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.378 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.17 97.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.49 -47.37 86.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.16 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.5 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 64.7 mt -60.39 -46.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.777 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.56 -41.37 73.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.802 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.54 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.561 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 5.9 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.682 0.277 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -59.78 -31.2 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.779 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -96.41 -13.33 23.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.524 0.678 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.561 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 10.5 mmmm -77.47 -37.75 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.385 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 p -82.57 -32.0 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 p -68.49 -50.46 52.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.436 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.7 mt -48.22 -49.74 12.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.277 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -57.02 -44.9 83.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -73.82 -38.97 64.39 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.114 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.63 85.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.916 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.555 ' HE3' HG12 ' A' ' 117' ' ' ILE . 30.5 mtm -67.08 -43.28 82.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.179 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 t -56.03 -45.12 79.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.242 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.566 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 24.7 t30 -67.22 -39.76 86.3 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.51 87.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.407 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -60.33 -41.75 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.079 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.56 -26.43 64.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.7 mm-40 -84.32 -16.27 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 18' ' ' ASN . 23.9 p -111.27 -57.21 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.8 t -114.95 -12.58 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.996 -175.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 10.3 83.71 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.004 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -144.66 134.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.57 137.04 35.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.758 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -97.2 95.38 7.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.517 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.4 tp60 -62.91 -49.1 83.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.137 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.0 Cg_exo -52.66 -42.81 60.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 121.974 1.783 . . . . 0.0 112.545 176.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.555 ' O ' HG12 ' A' ' 120' ' ' ILE . 59.5 t80 -56.46 -50.28 72.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.742 176.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.555 HG12 ' HE3' ' A' ' 101' ' ' MET . 76.2 mt -65.96 -38.66 82.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.076 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.52 -46.01 91.71 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.5 tp10 -60.31 -44.83 95.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.139 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.5 mm -59.44 -48.39 87.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.427 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.0 p -58.87 -33.18 70.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 126' ' ' MET . 12.3 pt20 -88.93 -21.84 23.38 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.505 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 69.6 mt -68.43 -53.28 24.7 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.2 -45.98 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 m -62.44 -39.2 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.964 0.412 . . . . 0.0 110.965 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -71.07 -44.9 64.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -176.454 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.55 -29.19 64.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.133 -179.781 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.35 -9.1 14.18 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.827 2.352 . . . . 0.0 113.858 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.567 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 7.6 m95 -95.77 4.48 52.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.566 0.222 . . . . 0.0 111.092 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -69.52 -23.94 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.029 0.442 . . . . 0.0 111.264 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -138.16 127.74 14.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.254 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.91 -35.12 69.54 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.088 2.525 . . . . 0.0 112.806 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.06 37.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.822 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.36 -40.01 92.71 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.291 0.091 . . . . 0.0 110.853 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.71 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.325 0.391 . . . . 0.0 111.055 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.45 -50.54 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.321 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.474 ' HB3' HG22 ' A' ' 108' ' ' THR . 27.1 m-80 -62.0 -43.7 98.28 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.52 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.8 -49.64 76.92 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.505 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 12.1 mmt -58.95 -49.6 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.483 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -65.41 -31.73 72.99 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.791 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.32 -56.72 8.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.434 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.8 ppp? -63.64 -37.62 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.522 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 13.1 mm100 -68.07 -46.96 69.6 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.746 0.307 . . . . 0.0 111.273 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.73 -40.47 93.87 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.345 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.9 -35.04 79.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.687 0.279 . . . . 0.0 111.071 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.2 m -65.73 -16.16 63.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -92.45 -10.13 39.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.529 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.1 mtt -96.62 154.11 38.57 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.458 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.93 154.71 19.84 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.725 2.283 . . . . 0.0 112.428 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.47 6.36 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.431 172.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.93 178.07 4.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.195 0.521 . . . . 0.0 111.351 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 1.4 m -131.98 159.44 38.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 176.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.07 69.58 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -59.57 -45.33 92.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.4 mp0 -72.42 -34.35 67.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.95 -30.11 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.526 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.08 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.526 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -72.8 -36.29 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mtt -60.41 -24.2 64.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.663 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 t -62.61 -32.48 73.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 0.0 109.985 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -65.93 -43.19 88.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.156 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.76 -42.23 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.379 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -59.11 -27.98 66.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.314 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -91.51 -52.52 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -57.34 -50.26 73.52 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.366 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.8 mmm -58.32 -41.37 84.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.742 0.306 . . . . 0.0 111.112 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.9 t -62.79 -44.1 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.614 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -63.45 -39.02 93.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.257 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.767 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.87 -33.5 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.258 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 14.0 mm100 -57.75 -50.66 72.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.178 0.513 . . . . 0.0 109.875 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -66.91 -27.19 67.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.995 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.8 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.71 -179.399 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m120 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.767 0.318 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -69.25 -33.77 73.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.286 0.565 . . . . 0.0 110.081 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.567 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -66.97 -25.03 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.403 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -90.11 8.04 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.81 -38.46 3.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.479 173.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.8 -24.61 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -67.84 -38.04 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.4 ptp -85.51 -16.92 37.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 110.364 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.42 -60.01 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.184 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' HZ2' ' A' ' 10' ' ' TRP . 6.9 p90 -69.64 -28.18 65.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.321 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.63 80.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.99 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t -65.58 -46.28 80.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.293 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.526 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mtp -61.37 -36.84 81.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -60.85 -44.24 97.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.372 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.13 -27.67 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 78.8 mt -78.01 -40.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.5 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.014 0.435 . . . . 0.0 111.526 -179.63 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 m -54.55 -41.85 70.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.647 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 m -82.27 -26.83 32.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HB2' HD23 ' A' ' 90' ' ' LEU . 46.1 mmtm -61.54 -55.88 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 p -63.94 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.782 -173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m -66.09 -46.0 79.21 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.382 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 p -71.78 -43.76 65.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.46 -48.3 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.994 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.02 -41.66 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.312 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -78.5 -36.77 44.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.233 -173.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.89 85.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.0 mtm -70.35 -37.2 74.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 0.0 110.24 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.338 0.59 . . . . 0.0 109.585 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.2 t30 -61.57 -39.88 92.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.905 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.67 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.75 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -70.14 -26.24 63.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 64.5 mt -78.41 -28.78 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.1 mm-40 -78.94 -23.19 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.754 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.474 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.5 p -93.19 -68.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 t -111.44 -32.74 6.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.904 0.383 . . . . 0.0 111.017 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.77 -7.04 38.34 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.531 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.15 125.68 70.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 117' ' ' ILE . 21.6 t -99.78 138.53 23.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.472 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -97.24 98.13 9.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.076 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.513 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.0 tp60 -62.5 -49.3 84.02 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.962 -177.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.9 Cg_exo -49.64 -46.26 27.82 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.118 1.879 . . . . 0.0 112.326 174.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.8 t80 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.251 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 112' ' ' VAL . 70.9 mt -64.84 -37.33 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.078 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.5 m-20 -65.65 -46.32 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.88 -53.78 54.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.09 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.5 mm -58.56 -47.84 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.788 -177.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.447 HG21 ' HB2' ' A' ' 98' ' ' ALA . 19.9 p -63.96 -28.57 69.91 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.496 -176.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 14.2 mm100 -78.85 -36.01 43.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.803 0.335 . . . . 0.0 110.158 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.0 -52.09 64.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.745 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 120' ' ' ILE . 90.2 t -55.63 -44.59 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.792 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.6 t -57.66 -40.64 79.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.1 tpp -75.33 -47.88 25.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.205 -174.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -69.56 -30.57 68.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.456 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 8' ' ' THR . 49.3 Cg_endo -69.0 -10.3 28.77 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.477 2.118 . . . . 0.0 113.81 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -89.9 2.4 55.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 0.0 110.746 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -64.53 -23.82 67.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -139.19 127.77 13.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.89 -41.07 65.16 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.612 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.06 -40.69 95.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.945 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -67.42 -39.25 85.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.042 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.71 -45.87 88.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.42 -40.46 97.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.9 -49.35 73.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.455 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.52 -48.33 82.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.606 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -59.12 -47.63 84.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.246 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 m -63.2 -35.98 82.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.036 0.446 . . . . 0.0 110.532 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 58.3 t80 -64.61 -55.83 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.011 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.491 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 76.4 mm-40 -70.25 -49.35 50.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.844 0.354 . . . . 0.0 110.354 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.56 82.4 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 22.4 tp -73.62 -27.28 61.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.56 ' HA ' HD13 ' A' ' 38' ' ' LEU . 19.9 t -70.76 -13.48 62.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.382 0.61 . . . . 0.0 109.617 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -91.64 -9.77 42.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.143 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG3' HD12 ' A' ' 27' ' ' LEU . 19.9 mmt -89.74 155.43 47.97 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.85 -178.28 4.06 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.8 2.333 . . . . 0.0 112.054 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 -40.08 3.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 113.197 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 27' ' ' LEU . 68.0 m-85 -86.53 150.96 23.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 111.285 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -107.08 161.54 14.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.146 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.77 81.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 111.549 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -57.95 -36.24 72.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.26 0.552 . . . . 0.0 110.818 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 72.3 mt-30 -76.92 -42.51 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.756 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD13 ' HA ' ' A' ' 28' ' ' SER . 97.7 mt -65.43 -30.15 70.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.461 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.38 -35.31 79.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.929 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -78.73 -24.53 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.477 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.3 mmt -60.14 -29.16 68.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 110.488 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -65.56 -26.83 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.194 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -59.91 -51.83 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 109.739 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.85 -36.91 78.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.58 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.434 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -103.61 -58.8 1.82 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -56.27 -47.86 77.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.276 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 88.8 mmm -60.65 -51.95 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 111.227 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.94 -50.17 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.268 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -29.23 68.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.67 -176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.04 -37.65 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.5 -34.92 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -59.95 -47.19 86.82 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -73.65 -8.79 57.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.749 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.631 0.253 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -65.63 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.941 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 8' ' ' THR . 4.0 mm? -70.92 -17.83 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.55 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.52 7.24 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -109.94 -42.42 4.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.109 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.6 -20.59 63.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -71.31 -31.19 67.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.559 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.1 mtm -86.18 -30.5 22.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.105 0.479 . . . . 0.0 109.935 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.16 -55.59 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.013 -175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' O ' ' HG3' ' A' ' 77' ' ' MET . 5.0 p90 -76.26 -22.71 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.06 -36.67 69.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.959 0.409 . . . . 0.0 110.591 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -67.06 -36.57 82.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.758 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -35.77 53.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.111 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 50.6 mtm -68.22 -28.64 67.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.556 0.217 . . . . 0.0 110.789 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.16 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.71 -32.69 74.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 70.4 mt -77.05 -40.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.23 80.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.514 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.094 0.473 . . . . 0.0 111.851 -178.425 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -61.86 -34.78 76.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -72.1 -38.12 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -66.27 -52.03 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.975 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 p -59.64 -41.31 90.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 p -69.11 -36.72 77.82 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 120.976 0.417 . . . . 0.0 110.924 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 57.6 m -67.14 -43.58 82.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.28 -49.5 79.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.07 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.183 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 m -71.22 -39.49 71.69 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.07 81.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.221 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.526 ' HE3' HG12 ' A' ' 117' ' ' ILE . 26.0 mtm -64.36 -41.95 96.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.299 . . . . 0.0 110.33 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -57.05 -50.69 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.589 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -64.1 -37.72 88.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.876 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.94 91.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.276 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 35.5 m-85 -60.47 -38.96 85.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.66 -16.84 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.569 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.1 mm-40 -98.37 -2.04 40.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 p -118.96 -59.52 1.85 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -118.09 -9.07 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.348 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.97 8.66 86.34 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.148 173.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.462 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 6.7 p -140.58 135.57 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.135 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.0 t -101.6 127.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 117' ' ' ILE . 50.7 t-20 -85.38 86.45 7.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 20.5 tp60 -60.59 -51.61 78.59 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.151 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.0 Cg_endo -52.49 -40.06 72.79 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.325 2.017 . . . . 0.0 112.464 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.496 ' O ' HG12 ' A' ' 120' ' ' ILE . 51.7 t80 -58.2 -44.26 88.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 110.871 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.526 HG12 ' HE3' ' A' ' 101' ' ' MET . 63.8 mt -71.66 -33.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.75 -9.04 58.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.955 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.66 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.054 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 116' ' ' PHE . 39.1 mm -54.66 -39.8 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.672 -177.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.4 p -58.82 -26.36 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -78.34 -50.84 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.925 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.15 -51.91 55.08 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 120' ' ' ILE . 60.3 t -57.26 -44.14 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.9 m -67.54 -45.59 75.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -51.06 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.19 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.73 -31.17 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.642 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 -179.575 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.15 -13.31 39.22 Favored 'Trans proline' 0 N--CA 1.471 0.203 0 C-N-CA 122.194 1.929 . . . . 0.0 112.844 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.453 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.8 m95 -102.94 12.13 36.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.964 -176.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.4 p -63.01 -33.36 75.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.493 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -139.36 131.55 15.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.054 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.58 -42.03 71.92 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.954 2.436 . . . . 0.0 113.017 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.57 -42.3 72.95 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.97 -42.53 94.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.98 -48.36 80.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.893 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -54.57 -50.67 67.41 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.941 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -63.37 -47.08 83.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.671 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.12 -51.86 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.47 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 96.4 mmm -62.58 -38.0 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.688 -173.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -76.03 -41.87 49.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.348 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -63.04 -38.81 92.66 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.001 0.429 . . . . 0.0 110.304 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.31 -52.29 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.5 ttm -57.26 -54.55 45.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.317 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.34 -45.15 92.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.91 -31.79 79.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.618 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -73.07 -30.48 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.692 0.282 . . . . 0.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -67.29 -18.4 65.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.282 0.563 . . . . 0.0 110.0 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -91.94 -5.11 53.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.504 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 mtt -99.71 146.43 31.82 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.267 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.64 158.7 54.59 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.835 2.356 . . . . 0.0 112.774 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.67 -34.12 5.94 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.11 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 70.5 m-85 -101.54 176.56 5.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -153.65 162.94 40.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.328 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.38 -39.63 64.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -57.58 -44.61 85.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.319 0.581 . . . . 0.0 110.693 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.83 -37.48 73.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.274 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 4.4 mm? -70.09 -26.4 63.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.472 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 42' ' ' SER . 18.0 t70 -64.22 -42.86 96.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' OD2' HD11 ' A' ' 80' ' ' ILE . 24.9 t70 -72.41 -34.4 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 109.967 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.7 mtt -62.45 -29.23 70.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 173.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 22.8 t -65.14 -42.09 94.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 85.0 m -59.2 -50.04 75.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.525 174.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 40' ' ' ASP . 64.6 mt -55.29 -53.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.474 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -53.01 -53.11 54.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.166 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HG2' ' OE1' ' A' ' 50' ' ' GLN . 62.5 tt0 -62.59 -48.95 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.658 -177.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 t -60.44 -47.39 86.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.0 mmm -60.89 -46.76 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 0.0 111.278 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 45' ' ' ALA . 97.9 t -58.0 -51.22 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.405 ' OE1' ' HG2' ' A' ' 46' ' ' GLN . 57.2 mt-30 -59.06 -41.6 88.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.325 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -59.52 -35.08 73.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.14 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.0 -32.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.6 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 79.5 mm-40 -55.04 -53.17 59.22 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.374 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -72.16 -30.96 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.561 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.569 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.926 0.394 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 -175.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -61.08 -35.25 76.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.239 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 27.6 mp0 -77.89 -38.48 45.72 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.494 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.65 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -84.67 -33.39 23.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.862 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 28.6 p30 -75.32 -28.26 59.59 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.577 -174.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -82.37 -25.58 33.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 109.821 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.71 -56.97 9.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.428 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.494 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.7 p90 -69.6 -27.76 65.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.224 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.9 79.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.607 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -63.42 -46.34 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 17.2 m -65.69 -40.84 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 40.5 mtm -69.65 -25.47 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.84 88.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.413 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 76' ' ' SER . 10.1 pt-20 -72.64 -29.8 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.125 0.488 . . . . 0.0 110.144 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.507 HD11 ' OD2' ' A' ' 40' ' ' ASP . 64.4 mt -70.85 -41.08 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.282 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.49 -27.65 69.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.905 175.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 111.267 179.215 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 m -55.67 -36.38 67.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.801 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 -25.75 53.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 19.6 mmtm -72.27 -51.03 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.6 p -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.986 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -59.16 -44.39 92.12 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.772 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 m -69.95 -44.62 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.796 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.3 mt -53.89 -47.51 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.156 0.503 . . . . 0.0 110.523 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.89 93.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.51 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -75.67 -38.66 58.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.315 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.62 95.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.339 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 mtm -67.57 -41.05 84.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 25.0 t -57.38 -51.03 71.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.6 t30 -61.18 -41.18 96.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.05 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.633 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.74 -41.07 97.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 111.236 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 102' ' ' SER . 93.7 mt -68.8 -29.26 67.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.474 -177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -79.02 -26.18 43.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 111.091 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.2 p -96.59 -60.31 1.63 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 111' ' ' VAL . 4.1 t -112.66 -20.18 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -176.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.55 -17.16 59.09 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.28 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 109' ' ' THR . 12.0 t -105.46 129.41 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.442 ' CG2' HD11 ' A' ' 117' ' ' ILE . 12.2 p -110.32 141.1 26.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.122 0.487 . . . . 0.0 110.572 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.476 ' O ' HG13 ' A' ' 117' ' ' ILE . 49.5 t-20 -101.38 96.94 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.173 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.5 tp60 -65.19 -45.92 72.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.024 -176.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 88.5 Cg_exo -49.48 -47.13 23.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.056 1.837 . . . . 0.0 112.003 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.487 ' O ' HG12 ' A' ' 120' ' ' ILE . 42.6 t80 -55.57 -49.54 72.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.129 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 113' ' ' ASN . 79.2 mt -62.59 -40.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.205 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.68 -43.29 84.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.107 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 6.4 tp10 -58.79 -47.07 86.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.6 mm -62.49 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.333 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -62.33 -26.9 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.944 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -51.52 17.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 93.9 mt -56.93 -51.11 70.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.399 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -55.07 -46.45 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 t -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 0.0 110.345 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.4 tpp -75.17 -27.2 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.727 -173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.72 -34.81 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.624 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.902 179.347 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.02 -20.3 71.21 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.651 2.234 . . . . 0.0 113.931 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.7 m95 -90.73 7.07 41.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 0.0 111.435 -174.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -68.44 -32.14 71.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 111.445 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -130.59 134.11 25.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.768 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.74 -41.92 42.84 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.822 2.348 . . . . 0.0 112.509 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.66 -36.76 83.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.684 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.74 -43.37 89.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.79 93.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.761 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' HG21 ' A' ' 49' ' ' VAL . 33.6 tt0 -63.12 -48.64 77.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.485 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.64 -38.54 90.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.051 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -63.86 -53.5 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.2 mmt -59.7 -39.56 85.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.911 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.49 -50.43 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.321 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -64.47 -38.85 92.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 110.51 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 27' ' ' LEU . 38.8 t80 -58.58 -52.17 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.75 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ttm -55.43 -54.89 38.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.468 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.58 -44.0 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.408 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.31 -40.59 87.23 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.128 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -70.46 -36.12 73.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.993 0.425 . . . . 0.0 109.976 -178.385 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -65.53 -10.79 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.936 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -98.42 -8.78 26.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.292 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 61.9 mtt -95.42 161.61 27.32 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -176.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 30' ' ' MET . 79.9 Cg_endo -79.96 179.56 6.13 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.447 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.24 2.18 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.125 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 96.1 m-85 -106.73 160.44 15.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.236 0.541 . . . . 0.0 111.437 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.96 157.0 21.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.214 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.31 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.157 0.503 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 23.3 p -64.28 -55.77 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.085 176.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.77 -30.98 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.282 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.4 -21.53 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.063 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 36' ' ' SER . 9.1 t70 -59.3 -43.39 92.61 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.211 0.529 . . . . 0.0 110.451 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' ILE . 12.0 t70 -69.54 -42.4 74.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.767 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -61.84 -34.81 76.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 109.604 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.9 m -69.06 -43.11 75.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.577 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 40' ' ' ASP . 72.4 mt -60.27 -39.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.91 -23.75 61.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.399 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -92.12 -52.77 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.476 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 t -58.84 -46.59 87.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.896 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.35 -49.05 77.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.082 -176.481 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 17' ' ' GLU . 92.0 t -62.28 -42.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -56.49 -40.18 74.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -61.19 -42.12 98.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.39 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.76 -29.79 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -59.26 -46.89 87.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.9 0.381 . . . . 0.0 110.468 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -74.96 -33.87 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.778 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -76.97 -36.8 56.21 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -68.03 -33.59 74.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.933 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.53 -1.31 55.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.912 0.387 . . . . 0.0 111.434 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.16 -46.45 4.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.095 0.474 . . . . 0.0 110.284 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' MET . 94.7 mt -65.22 -28.4 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.855 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.05 -34.09 77.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 mtm -88.63 -29.41 19.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.164 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.25 -57.01 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.828 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.2 p90 -73.17 -20.88 60.8 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 -177.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.1 -36.41 66.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -65.24 -41.55 94.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.2 m -68.17 -32.6 72.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 52.9 mtm -80.28 -24.14 40.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.799 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.35 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.339 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 1.3 pt-20 -66.64 -33.73 76.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.139 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.534 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 57.8 mt -71.27 -41.21 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.108 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.575 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.628 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.527 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 9.1 tt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.727 0.298 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 p -58.91 -27.38 65.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -93.52 -12.63 29.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.04 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 30.1 mmtm -77.95 -50.18 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.43 HG21 ' OG ' ' A' ' 125' ' ' SER . 23.9 p -71.43 -29.42 64.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.806 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 p -70.03 -38.31 75.84 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 111.357 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 p -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.454 ' O ' ' HG3' ' A' ' 101' ' ' MET . 79.6 mt -52.99 -48.65 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.523 175.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.493 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.4 -48.29 81.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.498 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -68.08 -40.05 82.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.91 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.305 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 24.0 mtm -65.49 -39.59 92.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.818 0.342 . . . . 0.0 110.412 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.466 ' HA ' HG21 ' A' ' 112' ' ' VAL . 46.9 t -56.73 -52.78 63.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.463 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.3 t30 -64.86 -41.94 95.28 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.5 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.886 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -29.09 62.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 110.605 -176.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.11 -31.66 69.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.876 0.37 . . . . 0.0 110.945 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 16.9 mm-40 -76.07 -43.59 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.061 0.457 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -74.76 -58.98 2.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.809 -171.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.0 t -113.67 -13.11 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.028 0.442 . . . . 0.0 110.976 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.59 -28.18 10.66 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.068 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.2 t -104.68 138.3 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 102' ' ' SER . 8.7 p -118.82 142.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.809 0.338 . . . . 0.0 110.612 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -94.75 99.99 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.823 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.512 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.7 tp60 -64.62 -48.73 73.24 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.136 -177.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.6 Cg_exo -49.21 -45.66 28.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.261 1.974 . . . . 0.0 112.441 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 120' ' ' ILE . 57.4 t80 -55.06 -49.24 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.299 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' A' ' 112' ' ' VAL . 69.8 mt -66.29 -34.53 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -81.47 -7.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -92.23 -47.79 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.809 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.6 mm -58.8 -41.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.091 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.9 p -60.15 -28.69 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 111.364 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 126' ' ' MET . 83.9 mm-40 -79.73 -45.93 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.706 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.87 -52.82 63.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.256 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.26 -46.41 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.43 ' OG ' HG21 ' A' ' 94' ' ' THR . 22.3 m -64.12 -37.25 86.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.059 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -75.18 -47.71 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.006 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.07 -34.34 77.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.133 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.651 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.4 15.96 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.539 2.159 . . . . 0.0 113.248 -175.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.497 ' HB2' HD22 ' A' ' 66' ' ' LEU . 13.1 m95 -107.3 3.57 25.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.47 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 p -62.54 -32.5 73.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 111.778 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -133.94 127.86 19.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.542 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.93 -45.65 39.45 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.498 2.132 . . . . 0.0 112.227 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.1 -36.17 92.91 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.45 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.53 -43.93 72.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.45 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.38 -51.12 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.435 ' HB3' HG22 ' A' ' 108' ' ' THR . 12.1 m-80 -64.11 -37.28 86.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.461 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.18 -49.84 75.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.884 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' A' ' 24' ' ' MET . 17.7 mmt -63.26 -40.71 98.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.652 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 5.6 m-20 -58.47 -51.6 69.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -66.58 -35.31 79.89 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.83 -58.56 7.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.316 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 6.4 ptp -58.32 -44.63 88.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.581 -175.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.522 ' N ' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-30 -71.25 -39.37 71.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.956 -174.126 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.25 -39.26 88.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.71 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 tp -70.38 -31.02 68.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.427 . . . . 0.0 110.666 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' HD13 ' A' ' 38' ' ' LEU . 29.9 t -70.15 -6.77 36.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.055 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 t -107.39 -9.87 15.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.345 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 45.5 mtt -91.71 150.28 40.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.089 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.69 170.78 18.69 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.03 -38.23 3.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.308 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.78 -178.32 3.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.066 0.46 . . . . 0.0 110.939 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -144.86 173.46 11.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' H ' HG22 ' A' ' 34' ' ' THR . . . -54.95 -37.0 65.92 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.67 -54.26 49.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.471 0.653 . . . . 0.0 110.846 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 23.3 mp0 -67.01 -36.24 81.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.975 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 34' ' ' THR . 73.8 mt -70.84 -28.72 64.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.38 -40.4 81.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.204 0.525 . . . . 0.0 109.75 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.98 -46.06 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.637 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -53.94 -41.3 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.423 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -60.17 -38.34 82.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.3 m -69.98 -42.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.41 -44.27 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.932 0.396 . . . . 0.0 110.023 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -54.21 -46.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.353 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.13 -52.61 54.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.571 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 t -60.93 -38.57 86.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.623 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.82 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.731 0.3 . . . . 0.0 110.45 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 45' ' ' ALA . 87.2 t -61.87 -48.07 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.197 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -56.4 -40.86 75.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.247 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -58.09 -49.08 78.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.8 -32.94 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -63.32 -52.0 63.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -65.16 -38.64 91.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.615 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.279 178.179 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.674 0.273 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -63.7 -26.79 68.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.741 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 10' ' ' TRP . 25.0 mt -71.92 -24.28 61.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -98.57 11.08 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.41 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.9 -41.67 3.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.789 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.93 -30.06 71.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.205 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -72.75 -33.49 66.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.013 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.429 ' HA ' HD21 ' A' ' 123' ' ' LEU . 19.7 ptp -85.36 -9.92 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.025 0.441 . . . . 0.0 110.504 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 -58.15 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.6 p90 -70.1 -28.73 65.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.731 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -33.23 75.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.621 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -67.4 -44.31 79.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.245 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.5 m -69.48 -40.88 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 41.7 mtm -65.57 -28.7 69.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.966 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.26 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.448 . . . . 0.0 110.872 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -73.79 -23.53 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.71 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.522 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 70.3 mt -81.15 -36.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.163 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.41 -29.0 67.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.27 178.065 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 7.8 tt . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -56.6 -44.29 80.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.845 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.836 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 43.7 mmtm -64.23 -58.78 5.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.3 p -68.99 -30.22 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.851 -173.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.4 t -60.76 -43.1 98.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -69.93 -41.1 75.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -55.96 -43.94 76.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.421 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.57 -49.42 72.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.957 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -77.94 -32.26 51.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.91 91.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.243 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.97 -38.4 76.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.403 ' OG ' HD13 ' A' ' 117' ' ' ILE . 27.2 m -58.38 -52.68 64.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.297 0.57 . . . . 0.0 110.125 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.7 t30 -59.21 -38.06 79.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.175 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.36 95.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.981 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -79.2 -17.84 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.951 0.405 . . . . 0.0 111.086 -175.655 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.542 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 24.1 mt -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.159 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 9.1 mm-40 -80.75 -28.35 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.988 0.423 . . . . 0.0 110.74 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.9 p -83.54 -60.06 2.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.209 -175.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 t -110.75 -38.24 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.793 0.33 . . . . 0.0 110.74 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.13 -11.69 34.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.297 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -117.95 127.87 75.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.542 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 14.7 t -100.85 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.403 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 48.9 t-20 -88.4 101.0 13.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.128 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.546 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.8 tp60 -64.07 -51.62 61.62 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.838 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.1 Cg_exo -51.81 -40.47 65.88 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 121.99 1.793 . . . . 0.0 112.581 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.5 -48.92 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.217 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.496 HD11 ' CG1' ' A' ' 112' ' ' VAL . 54.7 mt -69.62 -38.85 77.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.663 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.29 -31.37 72.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.69 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -77.57 -53.67 7.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.9 mm -54.84 -49.21 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 98' ' ' ALA . 16.5 p -56.85 -37.16 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.847 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.55 -24.43 22.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 71' ' ' MET . 34.2 tp -69.61 -42.45 74.36 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 120' ' ' ILE . 86.9 t -62.49 -44.98 99.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.882 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.2 t -58.89 -38.94 80.01 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.462 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -46.35 72.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.049 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -69.7 -24.64 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 179.586 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.62 -7.43 12.72 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.394 2.063 . . . . 0.0 112.24 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.575 ' HB2' HD12 ' A' ' 66' ' ' LEU . 6.4 m95 -95.4 2.6 54.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.861 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -72.63 -12.31 60.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.728 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -149.3 123.94 4.79 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.63 -36.86 82.64 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.095 2.53 . . . . 0.0 112.254 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.45 -37.67 69.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.875 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 15' ' ' LEU . 27.8 mt -67.03 -47.31 71.78 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 176.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.99 76.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.017 0.437 . . . . 0.0 110.599 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.4 -56.5 21.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.802 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.525 ' HB3' HG22 ' A' ' 108' ' ' THR . 12.5 m-80 -62.3 -42.5 99.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.443 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.54 -52.39 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.919 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.46 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 15.0 mmt -61.5 -42.11 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.775 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -61.67 -49.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.779 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -64.53 -40.2 95.18 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 101' ' ' MET . 59.6 t80 -59.75 -55.85 29.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.059 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.0 ttm -57.19 -47.97 79.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 15.9 mm-40 -66.58 -47.6 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.516 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -65.63 -33.0 84.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.16 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 tp -73.22 -36.68 66.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -62.17 -19.69 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.021 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -98.45 0.62 45.58 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.563 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 57.7 mtt -94.56 143.53 26.42 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.34 140.09 62.54 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.824 2.349 . . . . 0.0 112.362 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -28.98 6.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.101 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -107.11 129.42 54.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 0.0 111.603 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.05 159.23 15.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.214 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.78 -33.62 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -55.66 -38.15 69.21 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.065 0.459 . . . . 0.0 111.08 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.86 -44.15 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.88 -25.46 65.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.417 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.99 -42.78 99.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.575 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' OD2' HD11 ' A' ' 80' ' ' ILE . 18.8 t70 -78.26 -40.19 37.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.363 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.6 mtt -57.64 -28.31 63.58 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 111.612 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.2 m -69.41 -49.48 54.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.356 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.83 -47.25 86.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.918 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.85 -51.3 52.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.792 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.26 -47.68 63.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.582 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 33.1 t -61.08 -35.48 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.018 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.97 -46.4 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.994 -0.441 . . . . 0.0 110.076 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.524 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.9 t -60.77 -46.03 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 47' ' ' SER . 10.8 pt20 -61.11 -36.76 80.58 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.247 -176.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -65.25 -39.67 92.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.006 0.431 . . . . 0.0 110.212 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.25 -30.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.128 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 80.9 mm-40 -61.3 -58.16 9.39 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -61.46 -27.8 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.374 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.947 -178.75 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.594 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.957 0.408 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.2 mmmt -65.1 -41.85 94.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.104 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -72.9 -24.73 60.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -177.003 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -80.33 -25.88 39.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.561 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.9 -31.99 45.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.185 0.516 . . . . 0.0 110.427 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.2 mt -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.068 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -74.37 -25.93 59.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.439 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.6 mtm -88.04 -24.11 23.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 0.0 109.75 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.34 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.589 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' A' ' 77' ' ' MET . 12.4 p90 -70.64 -30.43 67.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.485 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.83 95.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -65.64 -40.31 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.102 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -74.16 -29.13 61.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 39.7 mtm -76.78 -24.11 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.773 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.18 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.246 0.341 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.68 -35.82 79.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.497 HD11 ' OD2' ' A' ' 40' ' ' ASP . 58.5 mt -73.67 -41.16 55.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.771 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 90' ' ' LEU . . . -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.864 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.451 177.381 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' A' ' 81' ' ' ALA . 1.8 mt . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -47.9 -49.25 30.43 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.823 0.449 . . . . 0.0 112.133 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 m -83.2 -13.34 55.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.465 0.65 . . . . 0.0 111.086 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 3.1 mmmm -90.09 -46.92 8.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.617 -172.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.6 p -70.48 -35.18 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.977 0.418 . . . . 0.0 111.063 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -62.15 -38.7 90.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 p -75.74 -44.82 39.88 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -50.9 -53.04 15.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.875 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.28 79.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.898 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -76.41 -40.24 51.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.383 -174.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.42 92.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.15 0.5 . . . . 0.0 110.483 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 28.8 mtp -64.38 -41.34 96.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.06 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.48 ' HA ' HG11 ' A' ' 112' ' ' VAL . 34.0 t -61.93 -46.94 87.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.477 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.977 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.82 -42.5 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.051 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.414 ' HB3' HG22 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.195 -178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 84.5 mt -75.53 -29.65 59.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 23.9 mm-40 -77.54 -21.53 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.002 0.429 . . . . 0.0 110.729 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.525 HG22 ' HB3' ' A' ' 18' ' ' ASN . 16.2 p -98.76 -62.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -173.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 111' ' ' VAL . 15.0 t -118.37 -20.38 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.754 -173.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.58 -2.1 53.17 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.629 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.445 ' H ' HG23 ' A' ' 109' ' ' THR . 4.3 p -133.76 134.54 56.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.975 0.416 . . . . 0.0 110.434 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 102' ' ' SER . 4.1 t -112.01 141.49 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.953 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -93.15 96.46 10.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.3 tp60 -67.6 -47.61 45.51 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.378 -175.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.3 Cg_exo -51.66 -43.66 49.36 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.993 1.795 . . . . 0.0 112.051 176.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' ' 120' ' ' ILE . 61.5 t80 -52.01 -54.17 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.687 174.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.431 HG12 ' HE2' ' A' ' 101' ' ' MET . 75.5 mt -62.51 -41.21 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.488 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 89.8 m-20 -68.06 -24.28 65.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -91.33 -30.79 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.876 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 116' ' ' PHE . 26.5 mm -60.52 -45.55 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.548 177.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.9 p -59.76 -33.34 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 70.5 mt-30 -66.93 -50.43 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.425 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.42 -49.1 68.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.656 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 120' ' ' ILE . 86.3 t -54.36 -51.5 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.425 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.0 p -65.73 -38.01 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.316 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -44.77 82.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.351 0.119 . . . . 0.0 111.15 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -72.0 -28.36 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.64 0.257 . . . . 0.0 110.988 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 178.843 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.432 0.158 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.57 -16.85 43.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.377 2.052 . . . . 0.0 112.708 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.58 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.8 m95 -97.02 5.85 49.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -70.27 -12.5 61.63 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -151.21 126.42 4.78 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 52.2 Cg_exo -53.98 -33.46 72.78 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.021 2.48 . . . . 0.0 112.584 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.34 67.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.769 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 34.4 mt -64.2 -40.01 95.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.48 85.41 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.301 0.376 . . . . 0.0 110.688 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -63.47 -54.8 30.8 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.472 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HB3' HG22 ' A' ' 108' ' ' THR . 6.2 m-20 -59.5 -44.16 93.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.197 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.51 -49.59 77.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.579 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.418 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 10.7 mmt -61.83 -45.59 93.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.6 OUTLIER -63.46 -44.97 92.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.791 0.329 . . . . 0.0 111.358 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -64.77 -34.22 77.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.18 0.515 . . . . 0.0 110.482 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.72 -54.66 24.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.652 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 22.2 ptm -62.75 -38.55 90.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.945 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.82 -42.25 64.02 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.942 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -67.62 -41.64 89.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.956 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.12 -32.18 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 0.0 110.775 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.4 t -66.25 -20.54 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.547 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 t -93.0 -7.27 46.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.477 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.7 mtt -97.2 153.75 38.35 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.55 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.45 165.41 31.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.702 2.268 . . . . 0.0 112.673 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.62 -37.87 3.32 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.907 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 55.6 m-85 -97.95 130.46 44.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 111.999 -176.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.7 161.57 13.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.26 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.4 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -61.15 -38.57 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.755 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -79.16 -34.75 42.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.564 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.08 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.64 -44.53 96.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.407 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -73.88 -39.3 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.06 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.15 -39.85 69.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.067 0.46 . . . . 0.0 110.708 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -35.35 79.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.4 m -68.79 -41.75 78.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -64.12 -19.33 65.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.214 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 43' ' ' THR . 11.7 pt20 -98.47 -50.65 4.22 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.991 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.9 m -80.68 -29.39 36.56 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -172.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.19 -42.3 99.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.277 0.56 . . . . 0.0 109.619 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 50.5 t -62.24 -48.63 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.351 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 52.4 mt-30 -56.57 -37.57 70.77 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -60.36 -46.02 91.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.248 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.38 -34.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.447 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 39.8 mt-30 -61.41 -29.43 69.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 110.632 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -86.73 -44.39 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.182 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 tp . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.82 -177.654 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.671 0.272 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -69.0 -37.21 78.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 0.0 109.883 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.9 mm? -69.55 -16.23 63.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -97.6 -8.2 29.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -101.63 -42.65 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.168 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -23.84 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.994 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -72.76 -26.7 61.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.222 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 15.7 ptp -94.38 -23.1 17.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.71 -55.52 26.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.783 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.3 p90 -71.67 -27.61 63.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.314 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.55 77.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.631 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -66.02 -37.79 86.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -65.58 -38.17 88.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 48.6 mtm -76.57 -28.75 56.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.01 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.7 -43.92 80.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.65 -46.02 90.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.06 -41.06 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.857 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -67.24 -39.61 86.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.498 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.168 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 8.9 mp . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -53.29 -35.28 59.92 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.341 0.401 . . . . 0.0 111.28 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -91.37 -46.9 7.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.461 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.2 mptt -54.11 -60.65 3.04 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.8 p -60.38 -39.89 88.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.832 -170.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -61.28 -41.46 96.98 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 120.952 0.406 . . . . 0.0 111.203 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 m -68.34 -45.05 73.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.5 mt -53.46 -50.96 45.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 111.013 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.495 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -71.32 -37.88 71.73 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -173.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.21 87.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.9 mtm -67.44 -39.52 85.4 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.662 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -49.9 72.38 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.737 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.4 t30 -68.32 -38.74 81.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.469 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -50.17 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.88 -10.22 59.73 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.07 0.462 . . . . 0.0 111.28 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 51.7 mt -80.0 -24.98 40.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.358 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 30.0 mm-40 -81.7 -20.3 39.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.738 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.4 HG22 ' HB3' ' A' ' 18' ' ' ASN . 39.4 p -92.78 -63.57 1.21 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.021 -175.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 111' ' ' VAL . 3.3 t -114.23 -31.06 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.682 0.277 . . . . 0.0 111.21 -176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.93 -3.4 41.44 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.056 -1.068 . . . . 0.0 112.797 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 109' ' ' THR . 21.8 t -128.09 130.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 117' ' ' ILE . 2.4 t -114.07 158.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.893 0.377 . . . . 0.0 110.272 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 46.4 t-20 -97.52 98.7 10.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.729 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.519 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.6 tp60 -64.93 -48.86 70.89 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.375 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.7 Cg_exo -52.64 -39.68 75.27 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.01 1.807 . . . . 0.0 112.074 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' O ' HG12 ' A' ' 120' ' ' ILE . 54.9 t80 -55.86 -55.96 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.448 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 112' ' ' VAL . 61.0 mt -59.57 -40.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.877 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 84.5 m-20 -60.12 -52.92 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.33 -36.24 82.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 116' ' ' PHE . 23.5 mm -59.83 -45.65 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.98 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.8 p -62.52 -25.41 68.02 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.809 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.1 mm-40 -71.12 -56.67 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.36 -49.69 60.97 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.395 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.7 t -56.51 -46.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.7 m -67.13 -39.9 86.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -49.94 64.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.661 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.55 -39.28 93.48 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 111.291 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.642 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.32 4.83 3.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.544 2.162 . . . . 0.0 112.515 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.568 ' HB2' HD12 ' A' ' 66' ' ' LEU . 15.8 m95 -106.78 7.11 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -71.08 -18.01 62.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.284 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -145.75 123.18 6.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.593 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.61 -35.61 77.95 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.072 2.515 . . . . 0.0 112.312 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.21 -37.73 95.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.765 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.44 -44.92 63.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.16 76.69 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.383 0.427 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.4 -52.81 62.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' HB3' HG22 ' A' ' 108' ' ' THR . 11.8 m-80 -61.42 -43.24 99.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.443 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.74 -51.73 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.946 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 24' ' ' MET . 10.9 mmt -59.4 -50.0 75.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -58.28 -37.83 75.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.367 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -75.01 -39.47 61.14 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.072 0.463 . . . . 0.0 110.539 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.505 ' CE1' HD12 ' A' ' 27' ' ' LEU . 31.1 t80 -60.63 -56.78 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.431 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 20' ' ' MET . 23.1 ptm -58.42 -44.23 89.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 14.3 mm-40 -72.85 -38.31 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.389 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 -35.5 74.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.752 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -70.25 -34.43 72.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 0.0 110.325 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.4 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 42.7 m -65.5 -17.12 64.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.159 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.5 t -91.64 -11.5 36.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.37 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.0 mtt -91.41 150.78 41.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.8 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.12 165.13 33.55 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.576 2.184 . . . . 0.0 112.553 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.84 -20.09 49.43 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.017 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 93' ' ' LYS . 82.3 m-85 -123.34 151.07 42.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.121 0.486 . . . . 0.0 111.029 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -112.81 160.35 18.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.636 171.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.84 47.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 111.234 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -62.15 -29.4 70.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 73.6 mt-30 -85.09 -43.56 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.24 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 34' ' ' THR . 1.1 mm? -66.69 -21.16 66.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.637 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.54 -46.27 80.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.623 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' O ' HG13 ' A' ' 44' ' ' ILE . 35.6 t70 -74.03 -36.87 64.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.247 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.5 mtt -59.4 -34.16 72.11 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -58.86 -45.48 90.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 109.861 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.563 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 93.9 m -67.54 -42.35 82.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.171 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 40' ' ' ASP . 73.7 mt -57.76 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.45 73.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.187 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.64 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.26 -33.2 75.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -175.267 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 t -84.22 -34.35 23.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.561 0.219 . . . . 0.0 111.283 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.22 -45.9 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 0.0 109.974 -178.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.33 -45.2 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.171 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 63.2 mm-40 -64.0 -32.01 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -61.98 -40.87 97.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.205 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -77.53 -32.5 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.525 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -73.14 -25.0 60.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.884 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.416 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.621 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 -39.91 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.071 0.462 . . . . 0.0 110.702 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -71.85 -22.63 61.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.305 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.44 4.7 26.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.31 -34.13 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.072 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.482 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 85.8 mt -66.7 -27.83 67.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.008 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -66.8 -41.27 87.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.812 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -79.77 -20.25 46.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 110.316 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.79 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.096 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -70.29 -26.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.218 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.24 81.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.0 t -67.3 -30.29 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -70.96 -44.02 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.998 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 mtm -71.77 -24.22 61.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.74 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.73 72.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.188 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.12 -38.57 79.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.106 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 62.4 mt -74.79 -42.67 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.724 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.29 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.214 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 0.0 111.242 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.438 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.903 0.382 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -49.26 -52.01 30.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.022 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -67.93 -40.25 83.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.1 0.476 . . . . 0.0 110.814 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 6.1 mttt -58.61 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.507 -174.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.438 HG23 ' CD2' ' A' ' 90' ' ' LEU . 2.5 p -61.19 -40.75 95.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.707 0.289 . . . . 0.0 111.379 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 m -60.5 -44.23 96.2 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.6 m -68.77 -45.37 71.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.5 mt -56.63 -47.68 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.023 0.44 . . . . 0.0 110.829 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.62 76.9 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.621 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m -68.76 -38.55 80.17 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.49 86.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.282 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.59 -39.4 91.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 112' ' ' VAL . 33.0 t -59.22 -47.41 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.489 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -66.77 -44.54 81.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.11 71.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.95 -176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -77.39 -16.87 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.961 0.41 . . . . 0.0 110.971 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' HG21 ' A' ' 112' ' ' VAL . 19.4 mt -73.91 -30.84 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.42 174.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.48 -37.72 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.176 0.512 . . . . 0.0 110.462 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 18' ' ' ASN . 36.2 p -75.75 -60.36 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.478 -173.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.0 t -114.37 -30.26 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.209 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.27 -14.76 58.12 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.062 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 109' ' ' THR . 4.7 t -118.62 120.46 64.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 105' ' ' PHE . 2.9 t -114.88 151.2 16.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.924 0.392 . . . . 0.0 110.763 -177.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.442 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 52.6 t-20 -92.35 104.44 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.058 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.421 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 27.5 tp60 -65.01 -54.61 33.02 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.978 -175.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.442 ' HG2' ' OD1' ' A' ' 113' ' ' ASN . 3.0 Cg_endo -51.43 -39.76 63.6 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.237 1.958 . . . . 0.0 112.517 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.512 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.0 t80 -53.53 -53.28 53.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.507 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 112' ' ' VAL . 79.3 mt -59.81 -41.08 84.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.093 -178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.53 -49.37 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.075 0.464 . . . . 0.0 110.335 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 32.8 tt0 -58.71 -37.83 76.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 116' ' ' PHE . 22.0 mm -60.4 -51.47 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.121 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -60.71 -32.4 71.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.163 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.1 -39.5 65.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.621 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 85.7 mt -61.99 -51.88 66.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.286 175.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.4 t -54.75 -48.22 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.574 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.7 t -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -48.04 77.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -176.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.83 -36.62 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.322 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 21.8 Cg_exo -65.61 2.68 1.46 Allowed 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.081 2.521 . . . . 0.0 113.104 -176.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.559 ' HB2' HD22 ' A' ' 66' ' ' LEU . 8.2 m95 -93.5 1.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.614 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 p -59.76 -36.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -128.31 132.72 24.51 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.538 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.83 -32.22 96.78 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.48 2.12 . . . . 0.0 111.926 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.54 87.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.935 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.46 -38.44 91.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.435 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.08 -50.53 72.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' HB3' HG22 ' A' ' 108' ' ' THR . 7.1 m-20 -60.92 -48.97 79.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.942 -176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -58.89 -48.76 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 7.8 mmt -60.02 -43.88 94.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.17 -42.9 75.26 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.649 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -68.6 -37.09 79.53 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.819 0.342 . . . . 0.0 110.652 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 53.2 t80 -62.74 -52.56 62.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.253 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.2 ttm -54.87 -52.55 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.48 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.81 -44.6 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.057 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.99 -23.56 74.42 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.481 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.5 tp -78.46 -26.48 46.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.93 0.395 . . . . 0.0 110.016 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -73.38 -14.02 61.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.065 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -89.43 -3.39 58.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.506 ' HG3' HD12 ' A' ' 27' ' ' LEU . 21.7 mmt -91.22 147.41 35.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.32 -17.31 24.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.152 2.568 . . . . 0.0 113.036 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.48 82.74 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.553 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' A' ' 93' ' ' LYS . 91.7 m-85 -114.1 157.44 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.096 0.474 . . . . 0.0 111.896 -173.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.46 154.69 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.85 51.61 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -60.57 -29.99 69.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -79.27 -33.45 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.219 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.7 -27.03 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.0 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.98 -37.78 88.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.54 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.62 -40.48 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.2 mtt -60.65 -21.13 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.02 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 t -60.46 -37.25 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 109.71 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 70.2 m -68.94 -43.54 74.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.571 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.32 -43.07 92.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.084 0.469 . . . . 0.0 109.953 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.26 -53.86 53.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.85 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.3 pt20 -64.75 -39.4 93.56 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.404 -175.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 t -63.13 -45.79 90.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.44 -43.07 95.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.779 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 45' ' ' ALA . 88.8 t -63.01 -53.3 48.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.207 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.46 -26.97 68.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 111.216 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -64.35 -33.23 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.88 -32.88 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -54.09 -46.28 72.03 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 p -74.01 -43.46 57.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.02 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.646 -176.745 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 47.8 mmtt -62.37 -44.27 96.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 10' ' ' TRP . 12.7 mt -69.01 -27.83 66.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -88.85 3.4 51.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.11 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.67 -42.29 3.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.508 . . . . 0.0 109.834 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.8 mt -65.36 -26.62 68.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.31 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -69.38 -35.71 76.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 110.918 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtm -85.29 -28.24 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.73 -58.6 7.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.89 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.486 ' O ' ' HG3' ' A' ' 77' ' ' MET . 17.2 p90 -67.61 -31.04 70.8 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.419 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.3 96.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.508 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.11 -41.11 97.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.388 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 m -65.21 -41.7 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.9 mtm -74.22 -24.81 59.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.046 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.03 80.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.797 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.09 -36.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.437 0.637 . . . . 0.0 110.124 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.13 -28.16 69.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.407 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.394 179.157 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.37 0.128 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.115 0.483 . . . . 0.0 110.48 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -79.95 -34.6 38.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.983 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 40.3 mmtm -54.1 -60.34 3.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.706 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 p -61.57 -40.58 95.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.418 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -35.07 77.75 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 m -70.9 -45.5 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.328 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.59 -50.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.209 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.506 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -55.26 -54.05 48.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.443 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -64.45 -39.09 93.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.256 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.69 -46.98 73.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 110.589 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.421 ' OG ' HD13 ' A' ' 117' ' ' ILE . 27.6 m -52.43 -53.28 47.34 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.7 t30 -64.7 -39.03 92.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.641 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.12 60.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 112' ' ' VAL . 3.1 t80 -71.64 -17.27 62.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.977 -174.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.19 -20.1 60.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.675 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.2 mm-40 -91.1 -29.42 17.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 18' ' ' ASN . 34.8 p -78.12 -57.91 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.852 -175.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.6 t -119.59 -23.46 6.57 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.384 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.38 -12.7 56.99 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.275 -0.964 . . . . 0.0 113.538 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 109' ' ' THR . 23.6 t -128.13 130.91 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 105' ' ' PHE . 2.0 t -123.07 164.86 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 116' ' ' PHE . 2.5 m-80 -100.12 134.08 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.938 -175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 22.0 tp60 -66.13 -50.66 49.79 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.694 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 23.5 Cg_exo -64.29 -34.26 56.33 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.778 1.652 . . . . 0.0 112.276 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 113' ' ' ASN . 75.2 t80 -58.26 -55.53 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.548 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.483 HD11 HG11 ' A' ' 112' ' ' VAL . 43.3 mt -64.88 -37.02 79.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -175.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -66.13 -47.87 72.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.135 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.659 ' O ' HD22 ' A' ' 123' ' ' LEU . 2.7 tp10 -56.17 -51.45 67.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.17 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.8 mm -55.27 -47.73 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.506 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.5 p -59.91 -28.53 67.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 126' ' ' MET . 76.8 mt-30 -72.18 -49.8 32.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.8 -52.89 61.24 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.336 175.505 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.0 t -52.32 -45.92 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 123.333 0.395 . . . . 0.0 111.063 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.9 m -65.1 -45.95 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 32.3 mmt -61.95 -50.62 71.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.08 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.44 -31.94 73.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.457 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.521 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.09 -2.82 7.99 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.238 1.959 . . . . 0.0 112.387 174.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 13.2 m95 -102.9 1.8 34.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -3.51 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 111.463 -177.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.2 135.09 8.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.51 -33.2 29.71 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.285 -174.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.95 67.04 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 15' ' ' LEU . 39.2 mt -67.4 -38.14 84.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.983 -0.108 . . . . 0.0 110.743 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.69 -53.11 60.6 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.46 0.475 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.317 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HB3' HG22 ' A' ' 108' ' ' THR . 15.5 m-80 -68.59 -43.87 75.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.687 0.28 . . . . 0.0 110.507 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.78 -51.42 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.39 174.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mmt -58.23 -44.69 88.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.904 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -65.96 -46.49 77.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.297 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -63.64 -37.36 87.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.244 0.545 . . . . 0.0 110.42 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.14 -56.81 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.573 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -61.91 -46.35 89.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.824 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -67.66 -36.21 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -74.76 -34.09 54.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.052 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -74.89 -30.67 61.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.932 0.396 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 t -64.82 -17.04 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -101.97 0.59 35.49 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.442 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 65.4 mtt -94.85 150.57 38.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.65 0.262 . . . . 0.0 110.787 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.97 167.99 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 123.01 2.473 . . . . 0.0 112.73 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 -43.52 2.49 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.466 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -91.45 150.68 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.243 0.545 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -111.83 156.69 21.6 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.761 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.22 -33.8 54.42 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -57.42 -43.75 84.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 17.8 mp0 -65.17 -38.9 91.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.3 mm? -69.22 -27.92 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.63 -41.03 93.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 109.697 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.69 -42.63 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.746 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 mtt -63.54 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.714 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.9 m -63.55 -42.9 98.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.503 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.55 -41.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.16 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.85 -17.63 63.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.222 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.54 -57.92 2.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 110.732 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 6.2 t -67.59 -35.41 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.779 -170.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.2 mmm -64.74 -43.61 92.81 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.257 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 70.8 t -67.18 -46.45 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.213 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.1 pt20 -59.86 -36.17 76.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 110.796 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -63.21 -39.26 94.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.206 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -80.0 -22.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.596 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.9 mm-40 -66.66 -49.7 65.33 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -66.71 -26.65 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.098 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.074 175.826 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.49 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.665 0.269 . . . . 0.0 111.379 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.32 -41.3 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.0 110.364 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.552 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.2 mm? -70.41 -25.02 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.259 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -97.88 6.5 47.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.947 0.403 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.82 -47.2 3.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.252 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.27 -27.16 68.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.17 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.83 -29.26 23.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.65 -58.76 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.56 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.4 p90 -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.459 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.56 94.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.703 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 t -65.92 -41.46 91.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 m -66.97 -36.71 82.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.8 mtm -73.0 -28.97 62.69 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.811 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.45 -45.25 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.34 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.11 -37.14 86.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.497 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.75 -38.57 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 90' ' ' LEU . . . -66.77 -35.63 80.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.501 -178.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 121.161 0.505 . . . . 0.0 111.497 -178.884 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 tm? . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -54.36 -42.93 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -71.32 -23.76 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.416 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 29.4 mmtm -66.36 -53.56 34.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.144 0.497 . . . . 0.0 110.315 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.5 p -64.29 -39.47 94.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.728 -173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.1 m -61.23 -39.95 92.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.902 0.382 . . . . 0.0 111.251 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -69.93 -45.28 67.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 101' ' ' MET . 77.2 mt -53.73 -44.87 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.809 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.28 -50.13 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.476 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -73.8 -36.63 65.02 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -173.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.22 84.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.7 mtm -68.32 -40.36 81.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.43 ' HA ' HG11 ' A' ' 112' ' ' VAL . 8.6 t -62.28 -45.2 94.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.841 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -64.38 -36.34 83.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.928 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.43 93.98 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.613 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -65.29 -34.0 77.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.804 0.335 . . . . 0.0 111.433 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.406 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 82.5 mt -74.38 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.539 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.8 mm-40 -85.4 -31.14 23.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.53 176.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 18' ' ' ASN . 17.1 p -88.31 -65.76 0.98 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.461 -172.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.4 t -115.42 -18.03 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.68 0.276 . . . . 0.0 111.402 -175.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.11 66.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.91 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 109' ' ' THR . 2.6 p -133.17 127.22 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.205 0.526 . . . . 0.0 110.661 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 117' ' ' ILE . 4.2 t -110.92 145.68 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.857 -176.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.49 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.9 t30 -104.39 108.22 19.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.465 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.3 tp60 -69.95 -47.91 22.06 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.526 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 76.4 Cg_exo -52.2 -32.91 52.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 122.145 1.897 . . . . 0.0 112.424 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.8 t80 -62.03 -50.58 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.547 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.514 HD11 ' CG1' ' A' ' 112' ' ' VAL . 58.0 mt -64.89 -41.38 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.594 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.92 -47.41 85.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.259 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 7.6 tp10 -55.48 -50.51 69.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.188 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.4 mm -61.48 -47.36 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.794 -176.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 28.0 p -59.1 -30.46 68.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.522 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.98 -47.93 19.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.911 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -55.79 -52.4 64.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.249 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.7 t -57.89 -45.06 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.004 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -63.38 -31.7 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.321 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.4 mmt -80.99 -49.78 10.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.054 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.44 -33.69 74.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.165 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 111.17 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 13.58 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.54 2.16 . . . . 0.0 113.399 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.507 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 26.8 m95 -108.77 9.91 26.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.796 0.332 . . . . 0.0 110.621 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -68.16 -33.45 74.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.111 0.481 . . . . 0.0 111.382 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -125.15 135.77 27.28 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.825 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.43 -41.31 77.52 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.432 2.088 . . . . 0.0 111.637 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.64 97.16 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.16 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 15' ' ' LEU . 29.3 mt -67.06 -38.14 85.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 122.526 -0.396 . . . . 0.0 110.657 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.119 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB3' HG11 ' A' ' 49' ' ' VAL . 12.7 pt-20 -65.09 -39.42 93.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.59 0.233 . . . . 0.0 110.882 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.508 ' HB3' HG22 ' A' ' 108' ' ' THR . 82.4 m-20 -67.92 -44.71 76.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.796 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.97 -50.66 70.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.117 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.5 mmt -59.66 -47.37 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.827 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.78 -48.85 79.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.529 0.204 . . . . 0.0 111.171 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.36 -40.09 93.13 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.49 -52.74 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.243 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.518 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 43.0 ttp -56.81 -51.77 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.499 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -68.94 -40.47 78.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.173 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -36.33 91.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.892 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.3 tp -69.29 -27.03 65.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.463 . . . . 0.0 110.6 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -69.13 -19.89 64.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -95.06 -5.27 44.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.648 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.444 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.1 mmt -84.62 143.33 40.91 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.32 149.75 45.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.217 1.945 . . . . 0.0 111.278 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.31 -28.82 10.97 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.55 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -100.42 169.56 9.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -137.37 159.71 41.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.089 -175.199 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -43.01 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 t -59.48 -32.67 70.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.389 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 2.9 mp0 -83.93 -29.37 27.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.298 0.57 . . . . 0.0 110.863 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 34' ' ' THR . 72.2 mt -72.75 -20.09 61.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.144 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.92 -48.92 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.428 176.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.77 -39.71 87.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.814 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -55.24 -39.87 70.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.518 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 10.3 t -62.68 -40.23 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -63.11 -46.01 89.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.619 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.18 -43.96 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.39 55.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.956 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -94.34 -51.66 4.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 111.187 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -58.88 -48.53 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.244 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.8 -45.9 81.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.0 110.597 -175.08 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 17' ' ' GLU . 34.2 t -69.29 -23.76 27.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.045 -174.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -58.65 -31.13 67.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.4 t -63.38 -49.86 72.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.48 -30.11 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.767 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -62.88 -46.66 86.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.226 0.536 . . . . 0.0 110.493 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -76.63 -41.54 45.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.153 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.114 -175.564 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.621 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.633 0.254 . . . . 0.0 111.157 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.03 -32.64 74.26 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.145 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -67.31 -21.01 65.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.795 0.331 . . . . 0.0 111.047 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -101.27 5.76 42.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.61 -41.99 3.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.931 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 94.3 mt -65.63 -28.77 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.374 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -65.07 -39.82 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -83.04 -26.91 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.45 -60.77 3.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.77 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' O ' ' HG3' ' A' ' 77' ' ' MET . 11.9 p90 -70.38 -25.91 63.46 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.49 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.71 89.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -67.19 -37.34 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.376 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -67.92 -45.63 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.1 mtm -68.1 -24.89 65.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.209 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -67.75 -32.63 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.157 0.503 . . . . 0.0 109.921 -178.626 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.512 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 78.8 mt -69.1 -48.22 70.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.487 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.46 94.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.435 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.376 -178.306 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 17.7 mt . . . . . 0 C--O 1.235 0.32 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 t -54.83 -40.09 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.484 0.49 . . . . 0.0 111.183 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 m -99.73 -19.75 16.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.087 0.47 . . . . 0.0 110.908 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 90' ' ' LEU . 47.6 mmtm -64.02 -49.74 71.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.152 0.501 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -69.59 -40.93 76.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.694 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -60.63 -45.02 95.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.824 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -66.57 -41.18 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.74 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.8 mt -55.61 -53.67 34.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 120.968 0.414 . . . . 0.0 110.603 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.431 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -54.66 -49.29 70.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -68.32 -40.79 81.52 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.33 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.6 mtm -66.05 -43.02 88.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.154 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -56.18 -46.49 79.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.223 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.2 t30 -68.48 -46.09 70.64 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.32 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -43.16 94.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 0.0 110.32 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.94 -36.0 77.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.239 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -76.78 -16.72 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.606 0.241 . . . . 0.0 111.64 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 18' ' ' ASN . 21.8 p -100.71 -55.27 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.1 t -116.46 -17.06 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.421 . . . . 0.0 110.872 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.15 -17.64 58.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.91 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 109' ' ' THR . 25.0 t -110.61 136.23 47.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG2' HD11 ' A' ' 117' ' ' ILE . 11.6 p -117.33 146.9 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.829 0.347 . . . . 0.0 110.259 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.407 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.7 t-20 -106.03 104.29 13.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.271 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.524 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.1 tp60 -66.21 -50.09 51.77 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.227 -176.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 76.5 Cg_exo -52.01 -41.84 61.86 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.843 1.695 . . . . 0.0 112.256 174.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.473 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.5 t80 -56.38 -49.07 75.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.216 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.434 HD11 ' CG2' ' A' ' 112' ' ' VAL . 79.5 mt -64.53 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.242 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.22 -40.74 86.42 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.171 0.51 . . . . 0.0 110.108 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 45.2 tt0 -60.96 -48.21 82.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.2 mm -59.83 -50.68 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.014 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 4.1 p -59.16 -36.64 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 111.241 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -72.67 -39.49 67.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.2 mt -59.76 -49.49 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.364 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 120' ' ' ILE . 88.2 t -58.25 -39.57 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 m -60.94 -48.85 79.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -45.06 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -70.03 -15.05 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 0.0 110.571 177.195 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.641 -0.133 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.05 -2.03 12.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.462 2.108 . . . . 0.0 113.164 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 18.4 m95 -98.05 6.09 47.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 p -66.83 -27.67 67.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.103 0.478 . . . . 0.0 111.876 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.97 130.68 17.65 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -56.08 -40.04 87.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.419 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.78 99.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.715 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 15' ' ' LEU . 25.2 mt -66.27 -42.0 89.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.72 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.318 0.387 . . . . 0.0 110.714 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.48 -54.06 51.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.639 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.495 ' HB3' HG22 ' A' ' 108' ' ' THR . 17.9 m-80 -60.75 -44.25 96.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.301 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -58.84 -52.68 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.625 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.432 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 6.5 mmt -60.36 -48.77 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.87 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.33 93.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -177.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -67.46 -27.92 67.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.157 0.503 . . . . 0.0 110.578 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -69.56 -56.12 8.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.615 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.664 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.3 ppp? -66.97 -41.14 87.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.754 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.664 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 14.8 mm100 -71.25 -28.43 64.16 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.258 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -80.02 -38.74 18.28 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.76 -34.95 79.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.787 -0.706 . . . . 0.0 111.31 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.514 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 m -68.09 -11.11 58.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.183 0.516 . . . . 0.0 110.843 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -102.35 -5.31 24.33 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.571 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.6 mtt -100.26 145.21 29.86 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.506 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.7 153.12 69.59 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.338 2.025 . . . . 0.0 112.062 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.06 -28.88 10.37 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.461 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -108.5 129.13 55.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.148 0.499 . . . . 0.0 111.194 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.525 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -90.9 158.04 16.99 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.23 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -38.5 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 111.289 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -63.39 -23.59 67.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.502 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -85.27 -41.4 15.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.903 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -66.45 -28.32 68.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.225 176.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.5 -43.72 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.024 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.33 -38.22 63.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 mtt -59.71 -33.53 71.73 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.894 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 t -59.8 -39.47 85.08 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.072 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.7 m -63.66 -45.46 90.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.94 -46.96 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -51.93 -58.46 6.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.774 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -58.87 -48.17 82.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.025 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.637 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 9.5 t -65.34 -34.96 79.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.769 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.7 mmm -65.88 -44.17 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.972 0.415 . . . . 0.0 110.207 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 45' ' ' ALA . 63.5 t -64.75 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.046 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -62.5 -32.21 73.08 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.663 -175.623 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.94 -41.77 74.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.449 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.2 -32.07 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -63.62 -55.15 25.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 m -58.53 -38.67 78.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.177 0.513 . . . . 0.0 110.834 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.724 178.284 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.853 0.359 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 22.0 mmmt -62.46 -39.23 92.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.16 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.32 -25.69 67.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.248 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 3.51 33.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.896 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.58 -36.63 7.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 109.483 173.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 96.4 mt -61.3 -29.21 69.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.617 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -70.55 -26.4 63.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.0 mtm -86.08 -29.64 23.22 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.43 -54.55 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.749 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.9 p90 -71.68 -27.51 63.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.372 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.88 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.3 t -63.54 -39.94 95.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -71.11 -36.94 72.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.4 mtm -74.26 -22.92 59.1 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.876 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.53 77.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.93 -33.72 74.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.28 0.562 . . . . 0.0 110.691 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.44 -45.76 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.874 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.59 -28.69 67.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.325 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 111.301 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 CA--C 1.527 0.062 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -54.33 -46.33 72.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.016 0.436 . . . . 0.0 111.473 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -84.15 -14.17 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.396 0.617 . . . . 0.0 110.668 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -79.52 -61.05 2.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.281 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.0 p -63.11 -37.29 86.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.917 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -57.86 -42.12 83.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.451 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.1 m -73.5 -41.64 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.68 -50.51 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.095 0.474 . . . . 0.0 110.884 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.98 90.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.462 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.4 m -75.26 -36.88 61.18 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.229 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.04 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.138 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.1 mtm -66.28 -40.08 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.476 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 26.2 t -58.82 -51.5 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.9 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.42 -38.74 88.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.84 95.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.399 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 112' ' ' VAL . 10.2 m-85 -62.48 -43.94 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 102' ' ' SER . 81.0 mt -66.5 -26.97 67.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.374 -176.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -88.34 -20.36 25.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.639 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 18' ' ' ASN . 12.0 p -90.86 -66.22 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.8 t -117.13 -2.98 11.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 0.0 110.257 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.44 -22.07 28.99 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.18 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 t -108.07 136.58 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 117' ' ' ILE . 14.2 p -108.61 150.97 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.353 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -104.25 95.58 6.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 0.0 110.072 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.533 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.5 tp60 -61.4 -50.2 84.17 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.036 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.0 Cg_endo -52.39 -39.58 73.11 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.34 2.027 . . . . 0.0 112.55 177.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.3 t80 -58.11 -50.37 73.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 112' ' ' VAL . 63.7 mt -64.1 -37.25 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.879 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 68.2 m-20 -65.18 -33.07 75.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.427 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.25 -44.04 54.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.5 mm -63.51 -39.6 85.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.555 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.9 p -61.63 -22.67 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.012 0.434 . . . . 0.0 111.286 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 126' ' ' MET . 61.0 mt-30 -81.06 -53.28 6.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.0 mt -53.03 -51.71 60.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.71 -44.51 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 0.0 110.691 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 m -69.43 -29.68 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 33.2 mmt -75.04 -47.78 27.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.715 0.293 . . . . 0.0 110.96 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -70.62 -29.75 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.811 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.392 0.139 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.87 -23.81 73.79 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.789 2.326 . . . . 0.0 113.036 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.4 m95 -84.56 4.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.503 -173.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -65.42 -26.9 68.18 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -135.06 134.12 21.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.16 -36.71 93.78 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.484 2.123 . . . . 0.0 111.984 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.41 93.24 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.231 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.57 -41.5 72.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.82 92.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.758 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.68 -49.13 78.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.417 ' HB3' HG22 ' A' ' 108' ' ' THR . 9.1 m-80 -63.03 -49.62 73.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.096 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -55.14 -54.98 36.3 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.862 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 8.7 mmt -57.11 -44.45 83.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.038 -177.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -66.43 -49.9 65.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.047 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 m -62.7 -30.41 71.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.236 0.541 . . . . 0.0 110.613 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -69.22 -55.89 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.559 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -63.97 -39.27 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.68 -19.68 61.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.028 0.442 . . . . 0.0 111.588 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -90.64 -39.87 5.79 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 27' ' ' LEU . 7.8 mt -65.09 -34.11 77.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.892 -0.654 . . . . 0.0 111.93 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.12 -8.46 31.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.212 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -107.23 -5.11 18.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.521 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 55.3 mtt -97.22 145.22 29.25 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-O 120.667 0.27 . . . . 0.0 110.993 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.43 149.5 87.93 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.062 2.508 . . . . 0.0 112.863 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.62 -28.86 10.1 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.516 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE2' HD22 ' A' ' 27' ' ' LEU . 67.8 m-85 -101.29 136.56 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.449 0.642 . . . . 0.0 111.641 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -102.14 161.18 13.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.69 63.39 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 118.152 0.433 . . . . 0.0 112.152 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -59.69 -40.48 88.02 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.957 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 15.8 mp0 -65.57 -46.85 77.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.92 -23.81 64.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.666 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.23 -46.64 85.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 110.233 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD2' HD11 ' A' ' 80' ' ' ILE . 23.2 t70 -72.26 -43.12 64.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.15 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 mtt -58.16 -36.38 72.93 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 90.2 m -62.28 -45.34 93.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.385 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 48' ' ' MET . 73.5 mt -59.08 -47.42 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.17 -51.61 56.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.11 -57.75 11.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.344 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -35.19 79.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.691 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -66.15 -48.02 72.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 97.3 t -59.39 -45.53 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.56 -37.64 70.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -63.45 -41.71 98.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.621 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.81 -30.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.368 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 30.8 mt-30 -60.92 -49.61 76.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.316 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -65.31 -37.83 88.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.083 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.1 178.772 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.771 0.32 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.5 mmmt -63.48 -42.49 98.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.1 mm? -66.21 -24.37 66.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.511 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 71' ' ' MET . 29.1 mm-40 -83.27 -35.8 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.651 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.62 -41.49 72.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.05 0.452 . . . . 0.0 110.236 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 90.4 mt -61.93 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.222 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -23.61 59.87 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 35.9 mtm -84.27 -28.28 27.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.15 0.5 . . . . 0.0 110.001 176.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.4 55.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.715 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.7 p90 -74.16 -21.33 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 110.293 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.2 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.446 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 t -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.43 -43.6 76.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.972 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.2 mtm -68.6 -24.42 64.58 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.68 -0.237 . . . . 0.0 111.308 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.74 81.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.916 0.389 . . . . 0.0 111.294 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -77.45 -11.42 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.494 HD11 ' OD2' ' A' ' 40' ' ' ASP . 62.1 mt -86.94 -39.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 109.401 174.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -62.49 -28.59 69.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.088 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 179.523 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -60.82 -32.07 71.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -37.3 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.319 0.581 . . . . 0.0 110.028 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.3 mptt -71.39 -52.19 19.99 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -60.77 -41.69 95.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -62.0 -36.41 81.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.521 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 40.4 m -71.95 -43.98 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.302 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.7 -44.88 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -57.61 -47.36 82.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.373 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -72.38 -38.87 68.38 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.044 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.1 80.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 36.0 mtm -69.48 -35.76 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.486 ' O ' HG21 ' A' ' 112' ' ' VAL . 22.6 t -60.02 -42.5 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.229 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -77.34 -33.28 55.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.356 178.097 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.61 81.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -3.2 54.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.21 0.528 . . . . 0.0 111.069 -174.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 mt -84.1 -15.26 47.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.094 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -92.82 -3.54 54.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.645 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 18' ' ' ASN . 37.0 p -104.47 -73.27 0.68 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 111.966 -176.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.0 t -109.57 -20.46 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.22 0.533 . . . . 0.0 110.128 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.15 6.62 53.51 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.669 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.43 138.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 102' ' ' SER . 2.4 t -119.13 153.01 21.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.529 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 59.3 t30 -95.69 107.28 19.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.216 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.464 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -64.97 -47.64 73.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.8 Cg_exo -51.47 -39.92 63.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.033 1.822 . . . . 0.0 112.016 175.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.6 t80 -56.37 -53.55 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 112' ' ' VAL . 62.6 mt -61.14 -38.84 80.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -64.52 -52.12 59.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 12.2 tp10 -60.54 -36.96 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 116' ' ' PHE . 24.5 mm -63.19 -48.34 88.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.128 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 98' ' ' ALA . 39.9 p -62.13 -29.44 70.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.185 0.516 . . . . 0.0 110.468 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -65.99 -58.12 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.879 175.848 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -54.82 -51.21 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.817 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.4 t -55.62 -45.65 79.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.655 0.264 . . . . 0.0 111.306 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 m -67.07 -34.22 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.935 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.409 ' HA ' ' CE ' ' A' ' 126' ' ' MET . 0.0 OUTLIER -78.41 -48.39 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 -177.342 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.39 -39.62 93.83 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.327 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.494 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.713 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD2' HG22 ' A' ' 8' ' ' THR . 29.7 Cg_exo -63.26 -4.15 6.09 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 122.82 2.346 . . . . 0.0 114.189 -173.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HB2' HD13 ' A' ' 66' ' ' LEU . 4.6 m95 -97.1 12.67 31.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 110.459 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 p -63.29 -21.15 66.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 111.635 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -154.15 129.45 5.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.4 -38.37 52.89 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.157 2.571 . . . . 0.0 112.88 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -41.62 94.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.927 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 15' ' ' LEU . 20.5 mt -67.87 -40.32 83.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.004 -0.115 . . . . 0.0 110.879 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.49 90.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 110.759 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.34 -48.74 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.49 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -62.67 -40.92 98.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.243 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.24 -53.65 55.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.789 176.078 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.22 -43.33 92.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.529 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 2.7 m-20 -62.52 -45.98 90.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.44 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 m -68.61 -32.11 71.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.0 110.566 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.63 -55.3 21.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.769 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 ptm -61.3 -39.6 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 14.6 mm100 -70.04 -43.95 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.736 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -70.15 -34.41 69.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.662 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -68.42 -12.73 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.334 0.588 . . . . 0.0 110.2 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -96.83 -1.8 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.383 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 42.8 mtt -103.52 154.96 37.48 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 122.267 -0.271 . . . . 0.0 110.89 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.25 155.85 33.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.6 2.2 . . . . 0.0 112.404 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.55 -35.27 4.82 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -102.56 148.04 26.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.225 0.536 . . . . 0.0 111.611 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.74 170.2 9.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.21 176.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.12 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -61.0 -25.01 66.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.562 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -97.06 -41.3 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.32 0.581 . . . . 0.0 110.512 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' MET . 93.6 mt -67.09 -21.3 65.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.011 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.51 -37.56 78.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.635 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.63 -37.39 25.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.01 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.437 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 18.4 mmt -54.7 -43.99 73.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -33.37 74.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.302 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.2 m -69.87 -45.55 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.7 -47.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.443 . . . . 0.0 110.016 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.23 77.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.83 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' THR . 7.4 pt20 -82.73 -37.55 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.705 0.288 . . . . 0.0 111.296 -175.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -85.68 -38.15 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.2 -46.93 88.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.75 0.31 . . . . 0.0 110.534 -175.609 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.2 t -56.56 -33.35 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.52 -33.36 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.835 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.0 p -63.83 -40.83 97.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.093 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.4 mt -75.05 -31.88 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.366 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -60.09 -47.83 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -74.36 -32.4 62.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.357 -177.88 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--O 1.227 -0.106 0 CA-C-O 121.019 0.438 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -66.37 -37.5 85.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.226 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.61 -33.68 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -95.89 4.09 53.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.43 -40.25 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.156 174.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 96.3 mt -71.18 -26.87 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.489 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -69.66 -26.35 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtm -86.06 -27.45 24.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -57.0 14.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.752 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.6 p90 -70.24 -29.3 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.376 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.02 83.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.528 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -63.76 -28.76 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -80.13 -45.34 18.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.01 0.433 . . . . 0.0 110.211 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 46.1 mtm -67.41 -25.32 65.87 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.455 ' HA ' HG13 ' A' ' 124' ' ' VAL . . . -54.41 -45.55 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.524 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.87 -34.28 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.9 mt -71.13 -40.15 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.486 0.66 . . . . 0.0 110.097 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.97 -38.81 92.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.523 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 111.461 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 m -53.12 -52.01 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.855 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.8 m -73.47 -32.49 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.699 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 9.9 mmmm -59.58 -50.01 75.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.533 -173.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.431 HG23 ' CD2' ' A' ' 90' ' ' LEU . 21.9 p -66.57 -37.4 84.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -61.58 -45.49 93.9 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.631 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 p -65.72 -39.95 91.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 101' ' ' MET . 82.0 mt -60.18 -45.69 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.999 0.428 . . . . 0.0 110.441 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.414 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.14 -50.36 73.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m -68.28 -38.04 81.29 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.217 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 32.2 mtm -65.51 -42.94 91.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.808 0.337 . . . . 0.0 110.46 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -57.8 -54.21 49.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.09 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.6 t30 -60.53 -37.12 80.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.188 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.68 68.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.779 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.472 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.1 OUTLIER -74.74 -21.84 59.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.032 -174.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.82 -27.86 65.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.364 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 83.9 mm-40 -84.73 -23.59 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.018 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.472 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 37.2 p -89.95 -59.17 2.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.4 t -115.19 -23.99 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.092 0.472 . . . . 0.0 110.916 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.64 -19.91 40.65 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.042 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 109' ' ' THR . 33.6 t -126.68 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.527 HG11 HD11 ' A' ' 117' ' ' ILE . 1.4 t -106.7 -143.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.529 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 36.8 t30 -158.99 105.24 1.75 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 20.8 tp60 -64.44 -49.16 73.02 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.978 -171.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.529 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 43.3 Cg_exo -58.51 -21.48 54.6 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.841 1.694 . . . . 0.0 112.633 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.421 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 35.7 t80 -74.38 -52.43 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 110.416 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.527 HD11 HG11 ' A' ' 112' ' ' VAL . 63.0 mt -61.45 -39.67 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.341 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.776 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 33.1 tt0 -83.14 -42.01 17.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' VAL . 30.7 mm -65.27 -44.45 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.003 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 13.2 p -57.59 -34.54 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.127 0.489 . . . . 0.0 110.789 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 126' ' ' MET . 48.8 mt-30 -71.81 -45.53 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.419 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 99.3 mt -57.66 -49.89 75.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG13 ' HA ' ' A' ' 78' ' ' ALA . 96.2 t -57.44 -50.67 76.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.8 m -64.98 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.131 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -73.95 -55.64 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.692 -177.406 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -62.65 -33.76 75.71 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 111.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.32 -15.21 48.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.54 2.16 . . . . 0.0 112.962 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.407 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.9 m95 -98.82 5.62 47.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.123 -175.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.17 -16.3 60.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.054 0.454 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -146.12 124.47 6.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.84 -40.34 85.65 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.044 2.496 . . . . 0.0 112.751 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.31 89.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.682 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.97 -48.96 66.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.43 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.16 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.41 -46.39 88.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.439 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.426 ' HB3' HG22 ' A' ' 108' ' ' THR . 10.0 m-80 -64.32 -41.46 96.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.048 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.1 -55.41 25.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.502 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.7 mtp -68.87 -31.9 71.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.488 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -69.16 -44.47 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.205 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 m -66.84 -37.2 84.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.102 0.477 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.25 -50.35 73.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.235 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.6 ttm -56.4 -55.22 36.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.838 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 13.8 mm-40 -65.03 -40.71 95.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.547 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.91 -37.62 83.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.157 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.65 -33.89 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.96 0.409 . . . . 0.0 110.794 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 t -66.01 -18.71 65.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -95.12 -1.23 52.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.2 mtt -100.3 153.06 37.96 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.601 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.26 159.03 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.622 2.215 . . . . 0.0 112.382 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.74 -35.48 5.01 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.816 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -103.49 146.36 28.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.412 0.625 . . . . 0.0 111.906 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.491 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.9 m -111.16 162.73 14.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.179 177.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.23 56.6 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.39 -45.75 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.496 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' NE2' ' H ' ' A' ' 34' ' ' THR . 41.8 mt-30 -65.66 -45.83 81.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.422 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -64.43 -28.76 69.89 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.998 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.93 -46.17 85.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.992 0.425 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.01 -33.54 61.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.115 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.89 -38.74 70.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 170.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -36.52 84.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.138 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.699 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.7 m -66.58 -45.23 79.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 176.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.48 -40.49 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.109 0.48 . . . . 0.0 110.155 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -12.17 61.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.262 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.1 pt20 -100.57 -45.93 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.512 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -70.62 -40.55 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -63.07 -49.02 76.15 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.435 . . . . 0.0 109.966 -176.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.97 -47.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.68 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 98.3 mt-30 -57.56 -33.18 67.86 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.291 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -63.99 -45.26 89.84 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.06 -29.76 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 110.543 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.94 -37.11 78.56 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.17 0.51 . . . . 0.0 110.363 175.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.0 m -83.17 -35.47 25.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.46 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -178.104 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.7 mmmt -66.24 -45.02 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.7 mm? -57.83 -37.76 74.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.967 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -76.56 -36.82 57.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.721 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 110.505 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 95.0 mt -69.45 -32.88 72.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.845 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -70.56 -25.51 63.12 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.053 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.7 mtm -86.14 -35.69 20.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.96 -56.97 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.712 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -69.88 -29.75 67.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.411 -176.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.31 89.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -67.07 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -68.4 -46.36 70.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.338 . . . . 0.0 110.385 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -69.43 -24.98 63.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.96 83.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.976 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.98 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.91 -38.66 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.432 0.634 . . . . 0.0 110.338 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -67.49 -22.23 65.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.486 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.01 177.189 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -59.52 -40.81 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.318 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 m -65.59 -39.12 91.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.088 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.4 mmtm -60.77 -53.23 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.625 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.0 p -65.45 -37.35 86.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.977 -175.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.0 m -60.11 -42.72 95.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.303 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.4 m -68.9 -44.76 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.2 mt -55.16 -47.08 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.998 0.428 . . . . 0.0 111.05 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -59.73 -40.72 88.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.462 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 m -76.97 -38.9 52.35 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.22 89.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.612 ' HE3' HG12 ' A' ' 117' ' ' ILE . 33.1 mtm -66.88 -39.3 87.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.13 177.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 112' ' ' VAL . 14.7 t -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.245 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.526 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -66.59 -39.49 88.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.48 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.512 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 25.3 m-85 -64.15 -38.46 91.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.695 0.283 . . . . 0.0 111.307 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.45 -29.28 69.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 0.0 110.628 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 69.8 mm-40 -83.99 -21.36 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.16 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 18' ' ' ASN . 10.0 p -100.05 -61.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -174.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.3 t -114.37 -9.26 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.981 0.419 . . . . 0.0 110.631 -175.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.39 84.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.024 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -136.89 137.48 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 102' ' ' SER . 58.9 t -87.64 125.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 117' ' ' ILE . 56.9 t30 -90.71 91.36 8.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.477 0.656 . . . . 0.0 109.997 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.49 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -60.89 -53.09 67.42 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.922 -170.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.85 -33.97 73.64 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.323 2.015 . . . . 0.0 112.426 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.0 t80 -64.38 -48.07 76.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.472 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.612 HG12 ' HE3' ' A' ' 101' ' ' MET . 49.7 mt -69.52 -31.21 48.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.229 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.36 -36.11 76.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.325 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.0 tp10 -72.13 -47.47 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.192 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -58.23 -43.43 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.567 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.4 p -62.08 -26.16 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.621 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -84.93 -37.65 20.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 88.6 mt -62.19 -51.19 68.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.379 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 120' ' ' ILE . 91.0 t -56.79 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.439 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 p -67.9 -42.64 80.86 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.043 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 30.2 mmt -67.74 -44.99 76.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.655 0.264 . . . . 0.0 111.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -69.91 -15.98 63.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.202 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 178.834 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.64 -16.85 51.0 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 113.13 -176.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -90.17 5.35 47.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.074 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -77.23 -14.88 59.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.147 0.498 . . . . 0.0 110.878 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -152.19 128.13 5.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.44 -38.61 53.87 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.306 2.671 . . . . 0.0 112.122 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.79 -36.27 93.1 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.097 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 mt -76.08 -38.87 56.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.42 0.152 . . . . 0.0 110.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.13 38.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.303 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.42 -38.46 89.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 110.704 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.588 ' HB3' HG22 ' A' ' 108' ' ' THR . 1.5 m-80 -66.74 -49.67 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.138 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.49 -51.26 70.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.235 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -59.43 -43.94 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.7 m-80 -65.94 -45.36 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -62.95 -42.85 99.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.986 0.422 . . . . 0.0 110.432 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.69 -53.69 54.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.364 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 ttm -53.3 -50.53 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.655 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 30.4 mm-40 -61.64 -48.35 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.7 -40.05 85.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.235 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.2 tm? -65.4 -35.78 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.009 0.433 . . . . 0.0 109.872 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -63.6 -19.98 65.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.794 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -91.73 -7.49 49.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.011 0.434 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.464 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 59.2 mtt -96.19 145.75 30.11 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.54 -179.81 4.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.012 2.474 . . . . 0.0 113.655 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.89 -19.0 56.38 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.864 176.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -101.83 173.64 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.172 0.511 . . . . 0.0 111.107 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.555 ' HB ' ' OG ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -110.04 157.19 19.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 174.231 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.82 -29.59 62.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.555 ' OG ' ' HB ' ' A' ' 34' ' ' THR . 1.8 p -64.04 -38.56 91.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.673 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.548 ' HG2' ' H ' ' A' ' 34' ' ' THR . 45.1 mm-40 -65.75 -44.11 86.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.296 0.569 . . . . 0.0 111.057 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -68.17 -22.01 64.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.769 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.47 -44.97 77.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' OD2' HD11 ' A' ' 80' ' ' ILE . 19.2 t70 -71.78 -38.88 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.532 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.7 mtt -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -62.74 -39.03 92.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.049 0.452 . . . . 0.0 110.045 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.3 m -67.59 -40.99 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.735 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.52 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.13 -13.52 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.542 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -100.53 -55.26 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.788 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.591 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 8.6 t -69.25 -37.65 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.824 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -64.5 -42.14 96.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.325 0.583 . . . . 0.0 109.836 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 89.5 t -68.55 -46.94 79.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.366 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 47' ' ' SER . 4.8 pp0? -58.43 -33.25 69.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -61.36 -44.06 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.984 176.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -72.64 -36.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 11.5 mm100 -57.59 -43.48 84.67 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.159 0.504 . . . . 0.0 110.283 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 m -77.08 -36.16 56.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.797 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.109 -178.534 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 121.052 0.453 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -70.62 -34.66 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.689 -176.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.57 -35.45 80.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 110.247 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -78.34 -37.26 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.56 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.67 -47.71 65.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.964 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.6 -27.84 68.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.828 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.69 -33.7 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.9 mtm -99.22 -7.99 25.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.096 0.474 . . . . 0.0 110.706 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.45 -61.74 1.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.506 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -66.31 -25.54 66.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 0.0 110.732 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.75 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -74.7 -42.09 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -63.22 -43.45 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.417 0.627 . . . . 0.0 110.415 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mtp -70.57 -30.21 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.404 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.91 -49.4 63.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.464 0.477 . . . . 0.0 111.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -65.78 -30.68 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.214 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.498 HD11 ' OD2' ' A' ' 40' ' ' ASP . 68.8 mt -71.81 -44.28 68.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.42 0.628 . . . . 0.0 110.379 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.79 -26.97 65.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.163 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.957 0.408 . . . . 0.0 111.023 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.47 ' HB3' HG23 ' A' ' 94' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -50.6 -65.96 0.47 Allowed 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.482 0.489 . . . . 0.0 111.657 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -73.43 -25.52 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.053 0.454 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 30.5 mmtm -63.48 -64.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.289 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 90' ' ' LEU . 31.3 p -63.5 -34.25 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.325 -171.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -63.74 -34.28 77.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.177 0.513 . . . . 0.0 111.33 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.464 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 39.1 m -78.11 -47.27 18.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.1 mt -48.73 -46.26 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.04 -54.39 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.447 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 m -66.39 -36.41 82.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.939 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.33 79.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.088 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.415 ' HE3' HG12 ' A' ' 117' ' ' ILE . 34.4 mtm -71.3 -38.9 71.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.332 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.9 m -56.0 -49.73 72.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -67.82 -37.89 82.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.33 97.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -29.29 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.655 0.264 . . . . 0.0 111.175 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.99 -34.93 77.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.0 110.641 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.17 4.63 47.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.797 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 18' ' ' ASN . 23.0 p -121.29 -59.36 1.72 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.808 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -109.18 -30.11 8.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.022 0.439 . . . . 0.0 110.082 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.46 35.27 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.719 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -123.54 129.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 117' ' ' ILE . 10.6 t -91.17 146.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.616 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 64.1 t30 -104.06 98.51 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.547 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.2 tp60 -64.74 -48.02 74.05 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.81 -36.99 84.46 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.408 2.072 . . . . 0.0 112.391 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.515 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.2 t80 -57.87 -53.66 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.423 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 112' ' ' VAL . 59.0 mt -63.92 -38.97 83.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.16 -177.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 96.5 m-20 -69.17 -26.03 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.245 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.69 -39.57 20.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -60.99 -43.1 95.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -59.98 -28.3 67.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.962 0.411 . . . . 0.0 111.06 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 52.0 mt-30 -72.21 -56.56 5.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.75 -50.1 69.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.866 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.73 -37.28 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.527 ' HB2' ' HE3' ' A' ' 126' ' ' MET . 16.4 m -78.5 -37.23 43.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.921 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.527 ' HE3' ' HB2' ' A' ' 125' ' ' SER . 0.0 OUTLIER -71.98 -39.31 69.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -177.703 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -74.6 -23.16 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.64 0.257 . . . . 0.0 111.056 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.44 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 24.1 Cg_exo -64.11 -9.19 18.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.739 2.292 . . . . 0.0 112.89 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.2 m95 -87.88 -0.92 57.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -65.69 -31.38 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.492 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -131.8 123.33 19.1 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.648 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.68 -38.11 65.55 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.255 2.636 . . . . 0.0 112.919 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.28 -36.04 60.02 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.744 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -68.72 -40.54 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.3 94.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.226 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.84 -54.17 45.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.507 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.498 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.7 m-20 -60.17 -34.1 73.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.666 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.04 -50.94 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.69 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.36 -55.43 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -61.49 -29.93 70.29 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -65.08 -58.4 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.801 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -66.47 -33.81 76.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.15 -46.35 81.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.4 . . . . 0.0 110.583 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -71.0 -41.17 61.59 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.18 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' HD13 ' A' ' 38' ' ' LEU . 48.3 t -64.07 -16.16 61.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -103.87 1.62 31.65 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.428 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.2 mtt -99.19 147.82 33.79 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.556 0.217 . . . . 0.0 110.865 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.9 152.7 47.02 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.463 2.108 . . . . 0.0 112.469 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.55 -30.61 4.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -104.61 -178.08 3.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.314 0.578 . . . . 0.0 111.434 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 156.01 48.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.37 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -59.11 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.1 mp0 -73.06 -35.24 66.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 111.383 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 28' ' ' SER . 88.3 mt -67.6 -29.29 68.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.65 -41.33 98.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.199 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 80' ' ' ILE . 18.9 t70 -68.63 -43.09 77.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.239 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.4 mtt -59.7 -35.4 74.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.249 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -62.11 -28.02 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.221 0.534 . . . . 0.0 109.973 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.702 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.3 m -81.27 -41.14 22.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.645 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -34.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.315 0.579 . . . . 0.0 109.815 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.05 -14.8 61.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.848 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.702 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.2 pt20 -105.84 -44.33 4.66 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.749 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -68.07 -41.63 81.68 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.73 0.3 . . . . 0.0 111.695 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.1 tpt -63.39 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 110.45 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.8 t -64.02 -47.32 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 56.3 mt-30 -60.15 -35.73 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.655 0.264 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 m -60.95 -45.51 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.982 0.42 . . . . 0.0 110.129 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.27 -35.06 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.5 mm-40 -56.72 -26.82 57.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 176.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 m -97.63 -44.19 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.591 -177.113 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.16 -19.8 63.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.445 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.3 mm? -69.56 -26.97 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.564 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . 6.6 mm-40 -81.76 -26.11 34.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.483 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.33 -35.76 35.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.002 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.55 -42.03 83.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.564 ' OD1' ' HA ' ' A' ' 67' ' ' GLN . 1.1 p-10 -74.89 -18.73 60.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.49 -173.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -94.32 -17.43 22.62 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.655 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.66 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -65.71 -23.61 66.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.29 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.574 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -35.03 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 5.1 m -70.42 -42.98 70.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.655 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.25 -24.09 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.798 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.79 -46.63 77.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.25 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 76' ' ' SER . 11.6 pt-20 -71.81 -17.01 62.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 66.6 mt -86.12 -41.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.155 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -72.57 -25.63 61.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.187 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 111.274 178.804 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD23 ' HB1' ' A' ' 81' ' ' ALA . 5.1 mt . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.647 0.26 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -53.44 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -172.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.45 -33.01 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 9.6 mptt -65.18 -61.18 2.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.158 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -58.78 -35.31 72.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 t -68.23 -36.24 79.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.372 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -78.87 -40.86 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.191 -0.318 . . . . 0.0 110.617 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.1 mt -53.78 -46.25 62.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 110.376 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.8 72.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.748 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -75.99 -34.27 59.74 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -174.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.6 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.653 ' HE3' HG12 ' A' ' 117' ' ' ILE . 32.6 mtm -67.86 -42.08 81.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.473 177.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m -56.57 -47.39 79.61 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.245 0.545 . . . . 0.0 110.237 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.1 t30 -61.34 -44.67 96.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.784 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.56 98.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.614 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.2 59.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.715 -177.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.73 -24.16 49.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 85.1 mm-40 -82.09 -25.32 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.002 0.429 . . . . 0.0 110.679 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 18' ' ' ASN . 11.1 p -89.37 -61.59 1.67 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 t -120.67 -6.04 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 -176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.41 80.8 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.07 141.98 44.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.47 125.69 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.724 0.297 . . . . 0.0 110.779 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.505 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.2 t-20 -87.13 91.49 8.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.501 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.8 tp60 -60.25 -50.94 83.65 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.363 -174.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -53.62 -40.38 79.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 121.752 1.634 . . . . 0.0 112.382 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.558 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.2 t80 -58.92 -49.32 78.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.893 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.653 HG12 ' HE3' ' A' ' 101' ' ' MET . 48.7 mt -71.04 -32.23 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.961 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -71.89 -28.98 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.715 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 35.2 tt0 -79.88 -44.77 19.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.421 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -56.89 -52.47 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.4 p -57.7 -33.99 68.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.958 0.409 . . . . 0.0 111.568 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 126' ' ' MET . 34.5 tt0 -75.58 -44.54 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.2 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 86.2 mt -59.15 -51.05 71.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.023 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 120' ' ' ILE . 85.8 t -55.66 -41.39 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -45.71 81.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 23.2 mmt -71.48 -41.26 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.651 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.86 -21.06 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 175.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.63 -3.64 13.48 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.879 2.386 . . . . 0.0 114.165 -173.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TRP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.5 m95 -99.05 11.26 39.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.937 0.398 . . . . 0.0 110.619 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -71.68 -20.91 61.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.703 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -145.31 126.94 7.76 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.25 -35.31 41.49 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.644 2.229 . . . . 0.0 112.555 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.51 -34.22 63.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.307 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.23 -43.37 78.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.09 87.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.639 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.63 -49.51 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.477 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -60.26 -41.52 93.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.68 -49.07 74.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.745 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.433 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 mmt -58.86 -51.23 70.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.161 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.14 -49.79 76.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.121 -179.655 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -63.19 -32.59 74.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.075 0.464 . . . . 0.0 111.092 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -62.84 -52.43 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.109 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.694 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.3 mm-40 -56.93 -41.55 78.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.45 -39.77 21.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.27 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -33.02 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.133 0.492 . . . . 0.0 109.794 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.543 ' HA ' HD13 ' A' ' 38' ' ' LEU . 19.7 t -72.82 2.56 6.49 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.225 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -122.92 0.11 9.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.826 0.346 . . . . 0.0 110.448 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.3 mmt -87.92 144.0 34.14 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.17 171.26 18.44 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.513 2.142 . . . . 0.0 112.145 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.455 ' HA3' ' HB ' ' A' ' 92' ' ' THR . . . 93.68 -26.5 15.91 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.776 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -101.31 -177.56 3.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.476 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -141.22 164.35 30.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.3 -32.61 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -70.0 -49.19 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.582 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -52.44 -41.52 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 0.0 111.456 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 28' ' ' SER . 78.4 mt -68.82 -23.17 64.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.229 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.75 -40.73 79.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.43 . . . . 0.0 110.22 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.15 -39.22 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.099 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.0 mtt -59.86 -33.5 71.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.501 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -61.95 -31.63 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 109.834 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -74.87 -42.07 58.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.763 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.95 -42.93 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.957 0.408 . . . . 0.0 110.377 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -63.49 -10.62 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.714 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 25.6 tt0 -104.99 -58.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.051 0.453 . . . . 0.0 110.936 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 t -66.04 -34.84 79.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.039 -172.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.66 98.25 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.62 -43.75 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.837 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 10.6 mm100 -63.85 -29.66 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.237 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.9 -32.81 56.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.292 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.08 -55.83 29.66 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.369 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -61.8 -40.06 93.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.65 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.385 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.477 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.508 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -65.81 -35.69 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.316 0.579 . . . . 0.0 110.381 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.417 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -94.2 10.7 32.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.454 0.645 . . . . 0.0 110.654 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.83 -47.34 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.919 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.67 -30.27 70.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.58 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -63.86 -34.24 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.7 mtm -85.32 -30.98 23.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.035 0.445 . . . . 0.0 109.859 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.38 -54.65 40.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.854 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -69.59 -28.04 65.62 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.174 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.87 87.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 m -65.61 -41.66 92.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.265 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.9 t -63.27 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.702 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 mtm -82.03 -23.9 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.944 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.73 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.036 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -29.15 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.753 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt -79.22 -45.62 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.84 -31.69 72.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.912 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.265 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.411 HD23 ' HB1' ' A' ' 81' ' ' ALA . 16.9 mt . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.481 0.182 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -50.95 -40.84 58.44 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.455 ' HB ' ' HA3' ' A' ' 32' ' ' GLY . 9.0 m -118.93 -15.17 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.05 0.452 . . . . 0.0 111.133 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -53.39 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -169.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.414 HG21 ' OG ' ' A' ' 125' ' ' SER . 29.5 p -67.03 -35.72 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -63.47 -44.4 94.55 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 53.7 m -60.13 -44.8 94.63 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.739 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.73 -47.29 91.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.864 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.71 -55.72 30.5 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.184 -177.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 m -64.37 -39.29 93.59 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.389 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.17 88.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.26 -38.31 81.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.533 ' HA ' HG11 ' A' ' 112' ' ' VAL . 42.5 m -59.88 -46.35 89.59 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.085 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.4 t30 -70.0 -36.56 75.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.91 86.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.44 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -19.78 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.16 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 55.7 mt -74.21 -27.39 60.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.845 0.355 . . . . 0.0 110.496 174.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 66.5 mm-40 -85.04 -17.38 37.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.723 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.9 p -98.44 -59.82 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.4 t -113.65 -18.02 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.236 -176.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.17 8.29 63.16 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.011 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 109' ' ' THR . 7.8 p -147.48 145.28 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.533 HG11 ' HA ' ' A' ' 102' ' ' SER . 2.5 t -121.79 155.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.072 0.463 . . . . 0.0 111.534 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -97.32 97.02 8.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.494 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.8 tp60 -65.6 -49.02 63.68 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.54 -173.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 50.7 Cg_exo -55.27 -39.12 92.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 C-N-CA 121.787 1.658 . . . . 0.0 112.085 177.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.9 t80 -54.51 -51.97 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.793 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.504 HD11 ' CG1' ' A' ' 112' ' ' VAL . 62.0 mt -65.26 -42.67 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.44 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.45 -17.8 63.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 34.4 tt0 -88.81 -40.77 12.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.197 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.1 mm -58.62 -44.32 89.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 19.5 p -55.4 -36.75 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.059 0.457 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -81.88 -37.31 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.375 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 89.4 mt -56.76 -51.34 69.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.8 -41.73 83.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.414 ' OG ' HG21 ' A' ' 94' ' ' THR . 46.2 m -64.57 -47.79 77.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.557 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -25.23 40.9 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -77.62 -39.1 46.43 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.545 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.033 0.444 . . . . 0.0 111.577 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -79.42 102.96 9.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.157 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.19 102.58 1.38 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 175.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.68 36.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.763 0.316 . . . . 0.0 111.566 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -162.42 154.6 18.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.7 t60 69.59 11.15 7.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -57.05 118.33 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.002 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.538 ' HB ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -100.68 144.98 29.54 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HD2' HG22 ' A' ' 8' ' ' THR . 23.8 Cg_exo -65.04 -4.25 8.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.798 2.332 . . . . 0.0 113.735 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.3 m95 -95.58 7.24 46.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.582 0.229 . . . . 0.0 110.829 -177.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.6 p -63.04 -36.04 82.25 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.018 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -126.92 130.86 23.71 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.365 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 20.1 Cg_endo -60.67 -33.99 92.63 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.505 2.136 . . . . 0.0 112.101 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.63 -35.89 44.98 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.079 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.06 -41.0 91.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 20' ' ' MET . . . -57.14 -44.72 83.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.86 -56.21 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.353 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -43.98 78.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.983 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.6 -53.08 57.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.492 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.549 ' CE ' ' HA ' ' A' ' 45' ' ' ALA . 53.6 mtp -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.165 -174.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.64 -54.5 45.73 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.737 0.303 . . . . 0.0 111.018 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 m -60.02 -34.79 73.84 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.097 0.475 . . . . 0.0 110.406 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.83 -58.5 8.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.045 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.52 -30.94 71.76 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.438 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.14 -50.97 43.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 0.0 110.978 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.8 -37.47 84.14 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.735 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.74 -30.93 71.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -61.87 -26.37 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -90.68 -6.16 54.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.1 mtt -93.02 152.17 41.17 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.398 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.0 178.52 6.78 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.624 2.216 . . . . 0.0 112.447 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.8 -39.44 3.11 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -100.15 155.52 17.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.12 0.486 . . . . 0.0 111.587 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.446 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -115.18 155.89 26.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.6 63.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 20.2 m -62.29 -30.45 71.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 19.4 mp0 -82.42 -36.76 26.35 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.2 mm? -64.4 -30.23 71.27 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.937 0.398 . . . . 0.0 109.945 175.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 36' ' ' SER . 13.5 t70 -56.71 -39.86 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.716 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.19 -38.56 31.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.1 mtt -60.15 -31.35 70.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.337 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 t -60.12 -41.93 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 92.8 m -67.21 -41.39 85.87 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.716 176.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.09 -41.8 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.0 109.918 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HA ' ' CE ' ' A' ' 20' ' ' MET . . . -61.28 -52.79 63.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.78 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.633 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.31 -33.75 76.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.098 -177.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -70.16 -51.8 28.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.886 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 85.5 mmm -60.57 -46.15 91.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.139 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 45' ' ' ALA . 85.9 t -58.19 -51.87 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.46 -35.6 79.81 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -60.32 -49.28 78.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.954 0.407 . . . . 0.0 110.234 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.27 -32.0 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' A' ' 13' ' ' PRO . 69.2 mm-40 -56.42 -53.94 51.51 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.849 0.356 . . . . 0.0 110.513 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 20.7 t -67.38 -38.32 84.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.749 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.07 -49.4 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.289 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.43 -22.46 54.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.675 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.15 11.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.754 0.312 . . . . 0.0 111.499 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 54' ' ' SER . 2.4 pp0? -91.16 4.44 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.99 -110.33 0.23 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.806 -1.188 . . . . 0.0 112.858 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.66 179.26 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.619 0.247 . . . . 0.0 110.685 -176.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.7 m -121.21 121.69 38.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.795 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 p -85.19 157.97 58.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.57 -29.95 62.86 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.914 2.409 . . . . 0.0 112.605 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -64.09 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.728 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.64 -37.56 79.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.542 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -64.3 -36.53 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.435 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.63 12.13 13.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.351 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -119.61 -45.29 2.51 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.195 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.68 -27.45 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -65.55 -34.44 78.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 18.4 ptp -91.32 -17.12 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.323 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -57.46 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -71.0 -21.16 62.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.028 0.442 . . . . 0.0 110.327 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.44 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.253 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -71.13 -40.02 71.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.749 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -74.25 -22.34 59.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.9 mtm -86.87 -23.55 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.188 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.89 -26.58 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.672 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.1 mt -83.62 -37.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.403 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.75 -32.3 73.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.657 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 14.96 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.194 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -91.48 124.86 35.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.512 . . . . 0.0 109.821 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -92.62 121.43 34.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.888 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.74 -163.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.25 105.48 0.64 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.296 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.34 -40.38 0.61 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.882 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.49 -145.31 17.26 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.656 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 m -75.87 173.04 11.68 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.156 0.582 . . . . 0.0 112.485 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 10.1 tt -70.72 -26.93 63.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.073 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 m -58.72 -28.9 66.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 m -86.66 -17.13 34.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.51 0.671 . . . . 0.0 110.776 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.2 mmtm -75.88 -57.32 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.39 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.8 p -66.21 -33.84 76.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.247 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 p -66.48 -39.04 88.54 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 120.988 0.423 . . . . 0.0 111.168 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -69.6 -44.4 70.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.108 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.39 -46.33 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.531 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.71 -46.8 83.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.52 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -72.94 -37.59 67.1 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.2 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.45 92.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.223 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.7 mtm -66.09 -40.36 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.416 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -59.13 -54.59 45.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.501 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.0 t30 -62.25 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.007 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.28 71.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -24.69 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.0 111.553 -175.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.549 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 38.7 mt -69.02 -30.26 68.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -82.96 -26.06 31.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.655 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.7 p -88.44 -59.65 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.167 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.3 t -119.97 -8.79 9.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.771 0.32 . . . . 0.0 111.27 -175.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.53 63.15 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.239 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 109' ' ' THR . 33.4 t -120.15 135.05 61.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.549 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 18.6 t -105.21 145.42 13.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.849 0.357 . . . . 0.0 110.792 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.19 94.78 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.058 0.456 . . . . 0.0 109.833 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.5 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.9 tp60 -63.23 -48.19 83.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.223 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.0 Cg_exo -50.18 -43.31 43.54 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 122.047 1.831 . . . . 0.0 112.169 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.44 ' O ' HG12 ' A' ' 120' ' ' ILE . 37.9 t80 -57.71 -50.4 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.136 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.506 HD11 ' CG1' ' A' ' 112' ' ' VAL . 80.6 mt -61.39 -38.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.764 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 79.1 m-20 -69.44 -43.97 72.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.012 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.35 -46.94 85.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.9 mm -61.39 -47.54 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.6 p -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.318 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.764 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.1 mm-40 -69.97 -49.0 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.35 -53.03 62.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.373 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.2 t -56.14 -49.55 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.292 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -34.68 76.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -53.21 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.54 -177.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.58 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.517 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.02 -43.99 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 111.428 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -80.76 -25.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 111.261 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -83.26 -31.6 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 71.15 42.25 58.66 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.329 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 ptp -167.97 157.81 10.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.292 . . . . 0.0 110.954 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -112.56 25.64 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.7 t70 63.92 86.6 0.12 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.008 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 p -164.93 121.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.99 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 20.9 m 62.85 20.48 12.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.538 -175.945 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -57.56 122.34 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 111.318 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.53 -59.15 0.48 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.067 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -75.81 3.4 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.268 0.556 . . . . 0.0 110.538 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.44 -36.9 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 59.15 19.01 6.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.268 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.7 t -92.09 -9.28 43.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.194 0.521 . . . . 0.0 111.57 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -168.26 158.16 8.64 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.206 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.72 -12.54 22.13 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.278 1.985 . . . . 0.0 112.129 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.9 m95 -93.05 1.46 57.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.3 p -69.63 -20.67 63.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.182 0.515 . . . . 0.0 111.255 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -143.53 123.83 7.81 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.523 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.74 -41.87 66.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.94 2.427 . . . . 0.0 112.449 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -33.25 84.67 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.799 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.56 -43.79 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.846 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.14 -53.09 62.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.672 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.521 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.3 m-80 -60.01 -39.31 85.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.289 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.62 -50.87 70.83 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.508 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.41 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 20.3 mmt -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.379 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -59.19 -47.54 84.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -67.96 -43.31 79.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.34 -57.49 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.262 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -59.02 -41.35 87.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.6 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.9 -52.71 63.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.379 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.75 -38.17 85.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.608 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.3 tm? -65.16 -35.1 80.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.451 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.6 t -65.57 -13.77 59.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.0 t -101.43 -8.76 21.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.793 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.8 mtt -87.03 149.23 47.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.943 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 160.09 40.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.748 2.299 . . . . 0.0 113.005 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.42 -29.84 10.84 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.389 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -101.73 155.8 17.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 111.551 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -113.18 162.83 15.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.243 176.105 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -41.09 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -38.83 75.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.863 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 69.8 mt-30 -76.04 -40.22 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' SER . 85.6 mt -67.24 -30.59 70.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.99 -33.79 76.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.76 -39.61 61.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.157 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.4 mtt -60.43 -32.02 70.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.404 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -59.69 -39.7 85.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 109.852 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 98.8 m -69.71 -40.27 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.738 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.46 -43.95 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.064 0.459 . . . . 0.0 109.992 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 20' ' ' MET . . . -56.85 -50.02 73.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.048 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.2 pt20 -70.47 -29.68 66.29 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.447 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -74.75 -46.99 33.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.4 mmm -61.13 -44.25 97.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.255 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.9 -48.42 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.166 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.5 -35.05 79.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -66.79 -22.71 66.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.096 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.21 -30.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.263 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.12 -56.2 20.38 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -69.81 -25.84 63.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.78 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -73.71 -47.6 38.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.82 -22.61 59.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.788 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.31 78.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.91 -33.34 57.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.332 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.31 -17.72 58.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.272 173.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.28 103.68 9.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.499 -177.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.8 m -132.48 114.84 14.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.6 m -82.36 153.17 68.46 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.07 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.03 -24.45 76.61 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.521 2.148 . . . . 0.0 112.012 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.25 -30.05 71.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.4 mmmt -64.02 -46.0 86.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -58.28 -28.23 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.21 -44.29 13.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.853 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.91 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.0 110.731 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.0 mt -70.0 -34.78 73.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.172 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -76.36 -22.44 54.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.406 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.1 mmt -67.81 -46.85 70.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.227 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.11 -60.69 3.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.275 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.5 p90 -67.05 -30.77 70.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.901 -174.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.3 78.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.79 0.328 . . . . 0.0 110.529 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -67.4 -43.9 80.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.885 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -65.75 -41.37 92.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.4 mtm -68.4 -29.11 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.378 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.17 97.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.49 -47.37 86.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.16 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.5 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 64.7 mt -60.39 -46.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.777 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.56 -41.37 73.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.802 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.04 23.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -83.45 122.93 29.17 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 120.586 0.231 . . . . 0.0 110.498 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -73.5 114.97 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.553 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.26 -159.22 0.63 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.35 67.5 0.53 Allowed Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.69 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.33 75.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.01 -19.66 12.46 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.926 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 22.8 m -59.55 105.1 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.063 0.458 . . . . 0.0 111.436 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.561 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 5.9 tt -67.14 -20.39 65.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.539 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -59.78 -31.2 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.779 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -96.41 -13.33 23.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.524 0.678 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.561 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 10.5 mmmm -77.47 -37.75 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.385 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 p -82.57 -32.0 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 p -68.49 -50.46 52.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.436 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.7 mt -48.22 -49.74 12.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.277 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -57.02 -44.9 83.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -73.82 -38.97 64.39 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.114 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.63 85.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.916 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.555 ' HE3' HG12 ' A' ' 117' ' ' ILE . 30.5 mtm -67.08 -43.28 82.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.179 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 t -56.03 -45.12 79.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.242 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.566 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 24.7 t30 -67.22 -39.76 86.3 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.51 87.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.407 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -60.33 -41.75 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.079 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.56 -26.43 64.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.7 mm-40 -84.32 -16.27 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 18' ' ' ASN . 23.9 p -111.27 -57.21 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.8 t -114.95 -12.58 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.996 -175.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 10.3 83.71 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.004 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -144.66 134.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.57 137.04 35.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.758 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -97.2 95.38 7.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.517 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.4 tp60 -62.91 -49.1 83.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.137 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.0 Cg_exo -52.66 -42.81 60.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 121.974 1.783 . . . . 0.0 112.545 176.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.555 ' O ' HG12 ' A' ' 120' ' ' ILE . 59.5 t80 -56.46 -50.28 72.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.742 176.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.555 HG12 ' HE3' ' A' ' 101' ' ' MET . 76.2 mt -65.96 -38.66 82.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.076 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.52 -46.01 91.71 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.5 tp10 -60.31 -44.83 95.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.139 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.5 mm -59.44 -48.39 87.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.427 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.0 p -58.87 -33.18 70.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 126' ' ' MET . 12.3 pt20 -88.93 -21.84 23.38 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.505 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 69.6 mt -68.43 -53.28 24.7 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.2 -45.98 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 m -62.44 -39.2 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.964 0.412 . . . . 0.0 110.965 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -71.07 -44.9 64.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -176.454 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.55 -29.19 64.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -61.01 2.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.133 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.8 -49.39 70.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 58.46 21.62 8.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.893 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.38 75.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.4 mtm -111.84 148.61 33.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -92.09 149.39 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.481 -177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -104.46 89.05 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.149 0.976 . . . . 0.0 111.241 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 136' ' ' SER . 13.4 m -113.95 42.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.726 165.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 135' ' ' VAL . 58.5 m 72.51 85.78 0.12 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.764 -164.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.835 -177.073 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -93.56 18.41 10.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.041 0.448 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.9 166.3 12.48 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.892 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -97.75 8.49 44.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.354 0.597 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -71.44 89.87 0.95 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.129 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -95.97 65.16 2.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 p -96.01 159.02 15.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.196 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.32 158.04 36.42 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.923 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.35 -9.1 14.18 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.827 2.352 . . . . 0.0 113.858 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.567 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 7.6 m95 -95.77 4.48 52.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.566 0.222 . . . . 0.0 111.092 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -69.52 -23.94 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.029 0.442 . . . . 0.0 111.264 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -138.16 127.74 14.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.254 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.91 -35.12 69.54 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.088 2.525 . . . . 0.0 112.806 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.06 37.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.822 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.36 -40.01 92.71 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.291 0.091 . . . . 0.0 110.853 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.71 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.325 0.391 . . . . 0.0 111.055 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.45 -50.54 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.321 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.474 ' HB3' HG22 ' A' ' 108' ' ' THR . 27.1 m-80 -62.0 -43.7 98.28 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.52 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.8 -49.64 76.92 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.505 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 12.1 mmt -58.95 -49.6 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.483 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -65.41 -31.73 72.99 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.791 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.32 -56.72 8.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.434 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.8 ppp? -63.64 -37.62 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.522 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 13.1 mm100 -68.07 -46.96 69.6 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.746 0.307 . . . . 0.0 111.273 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.73 -40.47 93.87 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.345 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.9 -35.04 79.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.687 0.279 . . . . 0.0 111.071 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.2 m -65.73 -16.16 63.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -92.45 -10.13 39.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.529 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.1 mtt -96.62 154.11 38.57 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.458 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.93 154.71 19.84 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.725 2.283 . . . . 0.0 112.428 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.47 6.36 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.431 172.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.93 178.07 4.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.195 0.521 . . . . 0.0 111.351 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 1.4 m -131.98 159.44 38.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 176.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.07 69.58 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -59.57 -45.33 92.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.4 mp0 -72.42 -34.35 67.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.95 -30.11 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.526 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.08 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.526 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -72.8 -36.29 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mtt -60.41 -24.2 64.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.663 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 t -62.61 -32.48 73.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 0.0 109.985 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -65.93 -43.19 88.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.156 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.76 -42.23 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.379 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -59.11 -27.98 66.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.314 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -91.51 -52.52 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -57.34 -50.26 73.52 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.366 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.8 mmm -58.32 -41.37 84.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.742 0.306 . . . . 0.0 111.112 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.9 t -62.79 -44.1 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.614 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -63.45 -39.02 93.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.257 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.767 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.87 -33.5 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.258 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 14.0 mm100 -57.75 -50.66 72.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.178 0.513 . . . . 0.0 109.875 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -66.91 -27.19 67.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.995 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD21 HG23 ' A' ' 61' ' ' THR . 32.8 tp -75.38 -42.96 52.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.71 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.45 -20.44 62.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 110.514 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.97 -44.92 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.79 -24.78 55.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.84 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.65 -71.52 0.31 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.701 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.02 127.0 29.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.572 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.496 HG23 HD21 ' A' ' 55' ' ' LEU . 25.5 m -122.06 -71.24 0.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.568 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 61' ' ' THR . 40.0 m 74.99 136.06 0.05 OUTLIER Pre-proline 0 CA--C 1.536 0.426 0 O-C-N 123.822 0.701 . . . . 0.0 110.439 -171.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 66' ' ' LEU . 51.2 Cg_exo -55.39 -17.72 17.07 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.325 2.683 . . . . 0.0 113.619 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.19 -31.19 72.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -69.25 -33.77 73.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.286 0.565 . . . . 0.0 110.081 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.567 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -66.97 -25.03 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.403 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -90.11 8.04 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.81 -38.46 3.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.479 173.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.8 -24.61 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -67.84 -38.04 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.4 ptp -85.51 -16.92 37.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 110.364 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.42 -60.01 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.184 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' HZ2' ' A' ' 10' ' ' TRP . 6.9 p90 -69.64 -28.18 65.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.321 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.63 80.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.99 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t -65.58 -46.28 80.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.293 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.526 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mtp -61.37 -36.84 81.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -60.85 -44.24 97.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.372 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.13 -27.67 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 78.8 mt -78.01 -40.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.5 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.66 19.07 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.014 0.435 . . . . 0.0 111.526 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 t -97.88 122.59 41.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.22 104.56 16.91 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.263 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -142.59 37.75 1.49 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 119.86 34.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.488 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.45 85.11 0.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.86 5.39 63.85 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.81 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.512 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 7.2 m -56.61 115.49 2.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.501 0.191 . . . . 0.0 110.767 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -78.04 -24.83 47.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 m -54.55 -41.85 70.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.647 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 m -82.27 -26.83 32.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HB2' HD23 ' A' ' 90' ' ' LEU . 46.1 mmtm -61.54 -55.88 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 p -63.94 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.782 -173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m -66.09 -46.0 79.21 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.382 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 p -71.78 -43.76 65.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.46 -48.3 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.994 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.02 -41.66 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.312 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -78.5 -36.77 44.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.233 -173.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.89 85.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.0 mtm -70.35 -37.2 74.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 0.0 110.24 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.338 0.59 . . . . 0.0 109.585 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.2 t30 -61.57 -39.88 92.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.905 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.67 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.75 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -70.14 -26.24 63.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 64.5 mt -78.41 -28.78 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.1 mm-40 -78.94 -23.19 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.754 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.474 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.5 p -93.19 -68.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 t -111.44 -32.74 6.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.904 0.383 . . . . 0.0 111.017 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.77 -7.04 38.34 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.531 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.15 125.68 70.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 117' ' ' ILE . 21.6 t -99.78 138.53 23.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.472 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -97.24 98.13 9.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.076 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.513 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.0 tp60 -62.5 -49.3 84.02 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.962 -177.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.9 Cg_exo -49.64 -46.26 27.82 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.118 1.879 . . . . 0.0 112.326 174.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.8 t80 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.251 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 112' ' ' VAL . 70.9 mt -64.84 -37.33 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.078 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.5 m-20 -65.65 -46.32 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.88 -53.78 54.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.09 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.5 mm -58.56 -47.84 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.788 -177.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.447 HG21 ' HB2' ' A' ' 98' ' ' ALA . 19.9 p -63.96 -28.57 69.91 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.496 -176.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 14.2 mm100 -78.85 -36.01 43.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.803 0.335 . . . . 0.0 110.158 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.0 -52.09 64.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.745 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 120' ' ' ILE . 90.2 t -55.63 -44.59 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.792 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.6 t -57.66 -40.64 79.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.1 tpp -75.33 -47.88 25.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.205 -174.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -69.56 -30.57 68.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.456 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . -67.19 -40.74 86.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 132' ' ' MET . 48.3 mt-30 -72.95 -52.45 14.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.153 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.48 23.14 5.61 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 173.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.91 86.94 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.616 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 129' ' ' GLN . 17.9 mmt -77.82 157.35 29.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -147.84 127.4 13.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.75 67.42 4.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.159 0.981 . . . . 0.0 110.65 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.43 106.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.44 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.6 t 69.05 9.7 7.53 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.773 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.27 -178.02 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 p -147.2 22.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 111.137 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.86 -156.62 27.5 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.851 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -70.88 -50.46 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.619 0.247 . . . . 0.0 111.02 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t 74.15 -27.52 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.672 0.789 . . . . 0.0 111.671 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -80.61 81.05 6.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.901 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -91.53 147.26 34.89 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.616 172.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 8' ' ' THR . 49.3 Cg_endo -69.0 -10.3 28.77 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.477 2.118 . . . . 0.0 113.81 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -89.9 2.4 55.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 0.0 110.746 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -64.53 -23.82 67.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -139.19 127.77 13.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.89 -41.07 65.16 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.612 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.06 -40.69 95.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.945 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -67.42 -39.25 85.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.042 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.71 -45.87 88.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.42 -40.46 97.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.9 -49.35 73.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.455 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.52 -48.33 82.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.606 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -59.12 -47.63 84.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.246 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 m -63.2 -35.98 82.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.036 0.446 . . . . 0.0 110.532 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 58.3 t80 -64.61 -55.83 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.011 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.491 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 76.4 mm-40 -70.25 -49.35 50.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.844 0.354 . . . . 0.0 110.354 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.56 82.4 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 22.4 tp -73.62 -27.28 61.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.56 ' HA ' HD13 ' A' ' 38' ' ' LEU . 19.9 t -70.76 -13.48 62.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.382 0.61 . . . . 0.0 109.617 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -91.64 -9.77 42.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.143 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG3' HD12 ' A' ' 27' ' ' LEU . 19.9 mmt -89.74 155.43 47.97 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.85 -178.28 4.06 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.8 2.333 . . . . 0.0 112.054 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 -40.08 3.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 113.197 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 27' ' ' LEU . 68.0 m-85 -86.53 150.96 23.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 111.285 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -107.08 161.54 14.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.146 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.77 81.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 111.549 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -57.95 -36.24 72.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.26 0.552 . . . . 0.0 110.818 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 26.4 mt-30 -76.92 -42.51 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.756 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD13 ' HA ' ' A' ' 28' ' ' SER . 97.7 mt -65.43 -30.15 70.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.461 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.38 -35.31 79.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.929 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -78.73 -24.53 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.477 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.3 mmt -60.14 -29.16 68.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 110.488 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -65.56 -26.83 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.194 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -59.91 -51.83 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 109.739 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.85 -36.91 78.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.58 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.434 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -103.61 -58.8 1.82 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -56.27 -47.86 77.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.276 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 88.8 mmm -60.65 -51.95 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 111.227 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.94 -50.17 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.268 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -29.23 68.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.67 -176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.04 -37.65 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.5 -34.92 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -59.95 -47.19 86.82 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 15.3 m -73.65 -8.79 57.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.4 tp -90.82 -55.72 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.8 -22.55 64.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.644 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.93 -43.08 9.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 54' ' ' SER . 96.7 mt-30 -101.23 8.45 42.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -172.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.17 -141.85 3.4 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.387 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -134.48 150.4 50.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 62' ' ' SER . 4.4 m -99.39 -76.45 0.54 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 61' ' ' THR . 57.7 m 68.98 156.84 0.15 Allowed Pre-proline 0 N--CA 1.469 0.495 0 C-N-CA 122.684 0.394 . . . . 0.0 111.045 -172.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.36 -19.18 49.64 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.967 2.445 . . . . 0.0 113.218 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.52 -40.13 93.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.26 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -65.63 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.941 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 8' ' ' THR . 4.0 mm? -70.92 -17.83 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.55 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.52 7.24 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -109.94 -42.42 4.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.109 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.6 -20.59 63.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -71.31 -31.19 67.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.559 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.1 mtm -86.18 -30.5 22.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.105 0.479 . . . . 0.0 109.935 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.16 -55.59 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.013 -175.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' O ' ' HG3' ' A' ' 77' ' ' MET . 5.0 p90 -76.26 -22.71 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.06 -36.67 69.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.959 0.409 . . . . 0.0 110.591 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -67.06 -36.57 82.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.758 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -35.77 53.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.111 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 50.6 mtm -68.22 -28.64 67.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.556 0.217 . . . . 0.0 110.789 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.16 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.71 -32.69 74.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 83' ' ' SER . 70.4 mt -77.05 -40.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.23 80.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.514 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.0 6.45 13.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.094 0.473 . . . . 0.0 111.851 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 37.1 m -90.52 104.85 17.39 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.09 75.9 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.428 0.632 . . . . 0.0 110.039 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -87.61 -68.49 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.562 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.77 -173.15 44.12 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.58 90.21 0.74 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.184 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.12 112.38 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.364 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.8 t -72.48 163.69 27.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.524 0.202 . . . . 0.0 110.543 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.87 -29.05 70.46 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -61.86 -34.78 76.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -72.1 -38.12 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -66.27 -52.03 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.975 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 p -59.64 -41.31 90.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 p -69.11 -36.72 77.82 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 120.976 0.417 . . . . 0.0 110.924 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 57.6 m -67.14 -43.58 82.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.28 -49.5 79.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.07 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.183 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 m -71.22 -39.49 71.69 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.07 81.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.221 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.526 ' HE3' HG12 ' A' ' 117' ' ' ILE . 26.0 mtm -64.36 -41.95 96.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.299 . . . . 0.0 110.33 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -57.05 -50.69 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.589 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -64.1 -37.72 88.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.876 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.94 91.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.276 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 35.5 m-85 -60.47 -38.96 85.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.66 -16.84 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.569 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.1 mm-40 -98.37 -2.04 40.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 p -118.96 -59.52 1.85 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -118.09 -9.07 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.348 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.97 8.66 86.34 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.148 173.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 6.7 p -140.58 135.57 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.135 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.0 t -101.6 127.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 117' ' ' ILE . 50.7 t-20 -85.38 86.45 7.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 20.5 tp60 -60.59 -51.61 78.59 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.151 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.0 Cg_endo -52.49 -40.06 72.79 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.325 2.017 . . . . 0.0 112.464 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.496 ' O ' HG12 ' A' ' 120' ' ' ILE . 51.7 t80 -58.2 -44.26 88.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 110.871 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.526 HG12 ' HE3' ' A' ' 101' ' ' MET . 63.8 mt -71.66 -33.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.75 -9.04 58.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.955 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.66 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.054 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 116' ' ' PHE . 39.1 mm -54.66 -39.8 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.672 -177.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.4 p -58.82 -26.36 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -78.34 -50.84 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.925 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.15 -51.91 55.08 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 120' ' ' ILE . 60.3 t -57.26 -44.14 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.9 m -67.54 -45.59 75.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -51.06 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.19 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.73 -31.17 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.642 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.74 -58.69 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.51 -40.23 93.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.909 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.81 14.28 14.04 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -83.26 50.97 4.5 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.324 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.2 ptp -117.73 2.7 12.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.235 0.54 . . . . 0.0 110.448 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -129.44 153.46 47.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -85.47 25.08 1.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.229 0.537 . . . . 0.0 110.034 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.7 t 70.74 96.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.136 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.6 m 71.3 2.29 4.19 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.069 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.995 179.684 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -68.8 119.21 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.375 . . . . 0.0 110.361 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.24 19.96 63.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.069 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -61.19 -57.26 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -116.59 163.98 15.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -87.18 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -67.71 114.15 6.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -171.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.68 158.77 33.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.96 169.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.15 -13.31 39.22 Favored 'Trans proline' 0 N--CA 1.471 0.203 0 C-N-CA 122.194 1.929 . . . . 0.0 112.844 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.453 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.8 m95 -102.94 12.13 36.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.964 -176.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.4 p -63.01 -33.36 75.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.493 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -139.36 131.55 15.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.054 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.58 -42.03 71.92 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.954 2.436 . . . . 0.0 113.017 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.57 -42.3 72.95 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.97 -42.53 94.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.98 -48.36 80.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.893 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -54.57 -50.67 67.41 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.941 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -63.37 -47.08 83.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.671 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.12 -51.86 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.47 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 96.4 mmm -62.58 -38.0 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.688 -173.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -76.03 -41.87 49.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.348 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -63.04 -38.81 92.66 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.001 0.429 . . . . 0.0 110.304 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.31 -52.29 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.5 ttm -57.26 -54.55 45.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.317 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.34 -45.15 92.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.91 -31.79 79.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.618 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -73.07 -30.48 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.692 0.282 . . . . 0.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -67.29 -18.4 65.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.282 0.563 . . . . 0.0 110.0 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -91.94 -5.11 53.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.504 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 mtt -99.71 146.43 31.82 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.267 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.64 158.7 54.59 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.835 2.356 . . . . 0.0 112.774 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.67 -34.12 5.94 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.11 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 70.5 m-85 -101.54 176.56 5.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -153.65 162.94 40.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.328 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.38 -39.63 64.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -57.58 -44.61 85.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.319 0.581 . . . . 0.0 110.693 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' NE2' ' HB3' ' A' ' 85' ' ' GLU . 2.6 mp0 -70.83 -37.48 73.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.274 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 4.4 mm? -70.09 -26.4 63.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.472 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 42' ' ' SER . 18.0 t70 -64.22 -42.86 96.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' OD2' HD11 ' A' ' 80' ' ' ILE . 24.9 t70 -72.41 -34.4 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 109.967 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.7 mtt -62.45 -29.23 70.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 173.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 22.8 t -65.14 -42.09 94.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 85.0 m -59.2 -50.04 75.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.525 174.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 40' ' ' ASP . 64.6 mt -55.29 -53.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.474 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -53.01 -53.11 54.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.166 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.405 ' HG2' ' OE1' ' A' ' 50' ' ' GLN . 62.5 tt0 -62.59 -48.95 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.658 -177.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 t -60.44 -47.39 86.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.0 mmm -60.89 -46.76 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 0.0 111.278 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 45' ' ' ALA . 97.9 t -58.0 -51.22 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.405 ' OE1' ' HG2' ' A' ' 46' ' ' GLN . 57.2 mt-30 -59.06 -41.6 88.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.325 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -59.52 -35.08 73.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.14 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.0 -32.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.6 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 79.5 mm-40 -55.04 -53.17 59.22 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.374 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -72.16 -30.96 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.561 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.04 -36.35 83.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.85 -20.87 30.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 0.0 111.038 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.42 -53.15 5.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.595 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.78 25.24 4.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.116 0.484 . . . . 0.0 111.705 -174.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.58 -147.32 5.33 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.909 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -150.67 121.49 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 m -91.33 82.67 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.614 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -70.14 154.05 94.85 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.013 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.23 -28.14 32.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.93 2.42 . . . . 0.0 113.231 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -67.61 -28.85 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.394 . . . . 0.0 111.196 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 -175.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -61.08 -35.25 76.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.239 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 27.6 mp0 -77.89 -38.48 45.72 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.494 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.65 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -84.67 -33.39 23.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.862 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 28.6 p30 -75.32 -28.26 59.59 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.577 -174.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -82.37 -25.58 33.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 109.821 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.71 -56.97 9.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.428 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.7 p90 -69.6 -27.76 65.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.224 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.9 79.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.607 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -63.42 -46.34 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 17.2 m -65.69 -40.84 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 40.5 mtm -69.65 -25.47 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.84 88.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.413 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 76' ' ' SER . 10.1 pt-20 -72.64 -29.8 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.125 0.488 . . . . 0.0 110.144 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.507 HD11 ' OD2' ' A' ' 40' ' ' ASP . 64.4 mt -70.85 -41.08 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.282 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.49 -27.65 69.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.905 175.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 3.81 45.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 111.267 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 t -81.24 124.13 29.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 88' ' ' GLY . 50.4 mt-10 -93.16 22.89 4.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.335 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.47 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 35.3 tt0 -83.08 132.63 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.32 -84.48 1.36 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.49 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.38 110.41 2.6 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 84' ' ' GLU . . . -70.02 -31.34 69.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.238 -0.506 . . . . 0.0 114.0 -172.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.4 m -80.78 128.25 33.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.072 0.463 . . . . 0.0 111.689 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.8 -28.54 68.85 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.717 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 m -55.67 -36.38 67.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.801 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 -25.75 53.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 19.6 mmtm -72.27 -51.03 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.6 p -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.986 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -59.16 -44.39 92.12 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.772 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 m -69.95 -44.62 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.796 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.3 mt -53.89 -47.51 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.156 0.503 . . . . 0.0 110.523 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.89 93.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.51 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -75.67 -38.66 58.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.315 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.62 95.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.339 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 mtm -67.57 -41.05 84.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 25.0 t -57.38 -51.03 71.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.6 t30 -61.18 -41.18 96.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.05 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.633 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.74 -41.07 97.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 111.236 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 102' ' ' SER . 93.7 mt -68.8 -29.26 67.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.474 -177.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -79.02 -26.18 43.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 111.091 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.2 p -96.59 -60.31 1.63 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 111' ' ' VAL . 4.1 t -112.66 -20.18 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -176.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.55 -17.16 59.09 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.28 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 109' ' ' THR . 12.0 t -105.46 129.41 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.442 ' CG2' HD11 ' A' ' 117' ' ' ILE . 12.2 p -110.32 141.1 26.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.122 0.487 . . . . 0.0 110.572 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.476 ' O ' HG13 ' A' ' 117' ' ' ILE . 49.5 t-20 -101.38 96.94 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.173 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.5 tp60 -65.19 -45.92 72.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.024 -176.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 88.5 Cg_exo -49.48 -47.13 23.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.056 1.837 . . . . 0.0 112.003 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.487 ' O ' HG12 ' A' ' 120' ' ' ILE . 42.6 t80 -55.57 -49.54 72.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.129 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 113' ' ' ASN . 79.2 mt -62.59 -40.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.205 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.68 -43.29 84.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.107 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 6.4 tp10 -58.79 -47.07 86.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.6 mm -62.49 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.333 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -62.33 -26.9 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.944 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -51.52 17.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 93.9 mt -56.93 -51.11 70.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.399 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -55.07 -46.45 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 t -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 0.0 110.345 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.4 tpp -75.17 -27.2 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.727 -173.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.72 -34.81 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.624 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.05 -52.33 29.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.902 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -80.38 -25.14 39.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.01 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.74 59.69 3.69 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.968 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.87 6.53 58.7 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.937 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.45 4.24 17.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 111.042 177.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -93.99 111.4 23.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.96 78.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 124.005 0.816 . . . . 0.0 111.028 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.77 129.61 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.512 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.3 m 62.79 21.53 12.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.329 0.585 . . . . 0.0 110.658 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.662 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.075 -179.677 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -167.65 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.81 -162.39 19.08 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.428 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -107.97 61.73 0.61 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.383 0.611 . . . . 0.0 109.724 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -153.8 161.87 41.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -77.89 116.25 18.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.1 m -72.15 134.89 45.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.416 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.38 152.49 42.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.055 177.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.02 -20.3 71.21 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.651 2.234 . . . . 0.0 113.931 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.7 m95 -90.73 7.07 41.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 0.0 111.435 -174.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -68.44 -32.14 71.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 111.445 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -130.59 134.11 25.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.768 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.74 -41.92 42.84 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.822 2.348 . . . . 0.0 112.509 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.66 -36.76 83.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.684 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.74 -43.37 89.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.79 93.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.761 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' HG21 ' A' ' 49' ' ' VAL . 33.6 tt0 -63.12 -48.64 77.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.485 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.64 -38.54 90.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.051 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -63.86 -53.5 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.2 mmt -59.7 -39.56 85.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.911 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.49 -50.43 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.321 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -64.47 -38.85 92.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 110.51 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 27' ' ' LEU . 38.8 t80 -58.58 -52.17 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.75 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ttm -55.43 -54.89 38.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.468 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.58 -44.0 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.408 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.31 -40.59 87.23 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.128 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -70.46 -36.12 73.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.993 0.425 . . . . 0.0 109.976 -178.385 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -65.53 -10.79 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.936 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -98.42 -8.78 26.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.292 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 61.9 mtt -95.42 161.61 27.32 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -176.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 30' ' ' MET . 79.9 Cg_endo -79.96 179.56 6.13 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.447 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.24 2.18 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.125 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 96.1 m-85 -106.73 160.44 15.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.236 0.541 . . . . 0.0 111.437 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.96 157.0 21.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.214 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.31 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.157 0.503 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 23.3 p -64.28 -55.77 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.085 176.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -67.77 -30.98 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.282 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.4 -21.53 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.063 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 36' ' ' SER . 9.1 t70 -59.3 -43.39 92.61 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.211 0.529 . . . . 0.0 110.451 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' ILE . 12.0 t70 -69.54 -42.4 74.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.767 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -61.84 -34.81 76.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 109.604 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.9 m -69.06 -43.11 75.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.577 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 40' ' ' ASP . 72.4 mt -60.27 -39.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.91 -23.75 61.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.399 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -92.12 -52.77 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.476 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 t -58.84 -46.59 87.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.896 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.35 -49.05 77.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.082 -176.481 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 17' ' ' GLU . 92.0 t -62.28 -42.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -56.49 -40.18 74.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -61.19 -42.12 98.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.39 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.76 -29.79 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -59.26 -46.89 87.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.9 0.381 . . . . 0.0 110.468 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -74.96 -33.87 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.11 -54.84 39.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -14.76 61.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 111.621 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.38 20.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.974 0.416 . . . . 0.0 111.139 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -104.32 -0.29 28.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.99 -132.17 1.57 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.569 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.2 tmm_? -147.47 152.54 38.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.569 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 4.9 m -80.42 91.25 5.69 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.975 0.417 . . . . 0.0 110.557 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -71.65 159.57 85.11 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.19 -41.73 34.04 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.006 2.471 . . . . 0.0 113.807 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.13 -20.8 64.46 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -76.97 -36.8 56.21 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -68.03 -33.59 74.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.933 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.53 -1.31 55.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.912 0.387 . . . . 0.0 111.434 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.16 -46.45 4.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.095 0.474 . . . . 0.0 110.284 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' MET . 94.7 mt -65.22 -28.4 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.855 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.05 -34.09 77.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 mtm -88.63 -29.41 19.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.164 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.25 -57.01 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.828 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.2 p90 -73.17 -20.88 60.8 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 -177.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.1 -36.41 66.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -65.24 -41.55 94.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.2 m -68.17 -32.6 72.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 52.9 mtm -80.28 -24.14 40.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.799 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.35 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.339 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 1.3 pt-20 -66.64 -33.73 76.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.139 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.534 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 57.8 mt -71.27 -41.21 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.108 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.575 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.93 2.49 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.628 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.0 t -96.83 90.15 5.14 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.53 88.61 7.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.435 0.636 . . . . 0.0 110.644 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG2' ' H ' ' A' ' 86' ' ' GLY . 16.4 tt0 -99.49 -170.82 1.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.988 -1.006 . . . . 0.0 108.951 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' H ' ' HG2' ' A' ' 85' ' ' GLU . . . -53.62 -20.1 11.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 114.061 0.384 . . . . 0.0 114.061 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.61 95.16 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.511 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.99 171.62 16.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.613 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 21.6 m -77.98 177.68 8.08 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.497 0.319 . . . . 0.0 111.003 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.527 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 9.1 tt -63.41 -30.22 71.39 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.727 0.298 . . . . 0.0 110.717 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 p -58.91 -27.38 65.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -93.52 -12.63 29.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.04 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 30.1 mmtm -77.95 -50.18 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.43 HG21 ' OG ' ' A' ' 125' ' ' SER . 23.9 p -71.43 -29.42 64.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.806 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 p -70.03 -38.31 75.84 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 111.357 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 p -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.454 ' O ' ' HG3' ' A' ' 101' ' ' MET . 79.6 mt -52.99 -48.65 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.523 175.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.493 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.4 -48.29 81.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.498 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -68.08 -40.05 82.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.91 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.305 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 24.0 mtm -65.49 -39.59 92.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.818 0.342 . . . . 0.0 110.412 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.466 ' HA ' HG21 ' A' ' 112' ' ' VAL . 46.9 t -56.73 -52.78 63.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.463 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.3 t30 -64.86 -41.94 95.28 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.5 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.886 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -29.09 62.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 110.605 -176.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.11 -31.66 69.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.876 0.37 . . . . 0.0 110.945 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 16.9 mm-40 -76.07 -43.59 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.061 0.457 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -74.76 -58.98 2.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.809 -171.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.0 t -113.67 -13.11 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.028 0.442 . . . . 0.0 110.976 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.59 -28.18 10.66 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.068 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.2 t -104.68 138.3 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 102' ' ' SER . 8.7 p -118.82 142.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.809 0.338 . . . . 0.0 110.612 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -94.75 99.99 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.823 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.512 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.7 tp60 -64.62 -48.73 73.24 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.136 -177.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.6 Cg_exo -49.21 -45.66 28.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.261 1.974 . . . . 0.0 112.441 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 120' ' ' ILE . 57.4 t80 -55.06 -49.24 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.299 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' A' ' 112' ' ' VAL . 69.8 mt -66.29 -34.53 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -81.47 -7.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -92.23 -47.79 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.809 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.6 mm -58.8 -41.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.091 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.9 p -60.15 -28.69 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 111.364 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 126' ' ' MET . 83.9 mm-40 -79.73 -45.93 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.706 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.87 -52.82 63.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.256 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.26 -46.41 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.43 ' OG ' HG21 ' A' ' 94' ' ' THR . 22.3 m -64.12 -37.25 86.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.059 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -75.18 -47.71 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.006 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.07 -34.34 77.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.133 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.51 94.45 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -80.73 -27.81 36.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB1' ' HE2' ' A' ' 132' ' ' MET . . . -62.25 -46.1 90.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.014 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.74 45.73 95.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.988 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.412 ' HE2' ' HB1' ' A' ' 130' ' ' ALA . 56.9 mtm -117.34 14.22 14.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.112 0.482 . . . . 0.0 110.888 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -9.21 40.51 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 172.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -146.07 94.29 2.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.011 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.2 p -73.25 -32.53 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.984 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.8 p -86.44 82.94 7.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.386 -179.702 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -66.62 144.14 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.8 0.3 . . . . 0.0 110.789 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.95 41.74 2.22 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -177.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -39.45 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.726 0.298 . . . . 0.0 111.353 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -94.48 4.08 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.943 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -109.54 32.88 4.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 109.752 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -58.13 114.46 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.362 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 p -91.4 149.29 39.29 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 170.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.4 15.96 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.539 2.159 . . . . 0.0 113.248 -175.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.497 ' HB2' HD22 ' A' ' 66' ' ' LEU . 13.1 m95 -107.3 3.57 25.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.47 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 p -62.54 -32.5 73.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 111.778 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -133.94 127.86 19.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.542 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.93 -45.65 39.45 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.498 2.132 . . . . 0.0 112.227 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.1 -36.17 92.91 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.45 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.53 -43.93 72.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.45 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.38 -51.12 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.435 ' HB3' HG22 ' A' ' 108' ' ' THR . 12.1 m-80 -64.11 -37.28 86.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.461 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.18 -49.84 75.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.884 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' A' ' 24' ' ' MET . 17.7 mmt -63.26 -40.71 98.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.652 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 5.6 m-20 -58.47 -51.6 69.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -66.58 -35.31 79.89 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.83 -58.56 7.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.316 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 6.4 ptp -58.32 -44.63 88.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.581 -175.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.522 ' N ' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-30 -71.25 -39.37 71.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.956 -174.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.25 -39.26 88.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.71 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 tp -70.38 -31.02 68.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.427 . . . . 0.0 110.666 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' HD13 ' A' ' 38' ' ' LEU . 29.9 t -70.15 -6.77 36.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.055 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 t -107.39 -9.87 15.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.345 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 45.5 mtt -91.71 150.28 40.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.089 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.69 170.78 18.69 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.03 -38.23 3.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.308 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.78 -178.32 3.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.066 0.46 . . . . 0.0 110.939 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -144.86 173.46 11.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' H ' HG22 ' A' ' 34' ' ' THR . . . -54.95 -37.0 65.92 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.67 -54.26 49.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.471 0.653 . . . . 0.0 110.846 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 23.3 mp0 -67.01 -36.24 81.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.975 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 34' ' ' THR . 73.8 mt -70.84 -28.72 64.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.38 -40.4 81.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.204 0.525 . . . . 0.0 109.75 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.98 -46.06 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.637 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -53.94 -41.3 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.423 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -60.17 -38.34 82.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.3 m -69.98 -42.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.41 -44.27 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.932 0.396 . . . . 0.0 110.023 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -54.21 -46.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.353 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.13 -52.61 54.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.571 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 t -60.93 -38.57 86.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.623 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.82 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.731 0.3 . . . . 0.0 110.45 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 45' ' ' ALA . 87.2 t -61.87 -48.07 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.197 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -56.4 -40.86 75.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.247 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -58.09 -49.08 78.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.8 -32.94 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -63.32 -52.0 63.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -65.16 -38.64 91.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.615 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.17 -44.62 96.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.279 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.22 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.318 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.56 10.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.58 -45.25 76.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.66 -90.06 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.01 -1.091 . . . . 0.0 113.043 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.55 162.76 39.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.995 0.426 . . . . 0.0 111.153 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.2 m -115.24 115.8 27.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.715 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 m -63.18 148.59 92.73 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.71 -34.24 83.25 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.922 2.415 . . . . 0.0 112.744 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.19 -25.94 64.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.48 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -63.7 -26.79 68.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.741 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 10' ' ' TRP . 25.0 mt -71.92 -24.28 61.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -98.57 11.08 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.41 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.9 -41.67 3.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.789 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.93 -30.06 71.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.205 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -72.75 -33.49 66.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.013 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.429 ' HA ' HD21 ' A' ' 123' ' ' LEU . 19.7 ptp -85.36 -9.92 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.025 0.441 . . . . 0.0 110.504 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 -58.15 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.6 p90 -70.1 -28.73 65.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.731 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -33.23 75.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.621 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -67.4 -44.31 79.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.245 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.5 m -69.48 -40.88 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 41.7 mtm -65.57 -28.7 69.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.966 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.26 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.448 . . . . 0.0 110.872 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -73.79 -23.53 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.71 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.522 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 70.3 mt -81.15 -36.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.163 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.41 -29.0 67.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.95 16.79 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.27 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.6 t -84.21 131.81 34.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 0.0 109.86 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.09 21.79 14.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.846 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.61 132.37 42.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.76 -84.52 1.0 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.246 -0.502 . . . . 0.0 114.331 171.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.29 56.59 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.392 -167.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.15 -135.87 35.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 114.752 0.661 . . . . 0.0 114.752 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.9 m -88.78 -169.59 2.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.195 0.521 . . . . 0.0 111.766 -171.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 7.8 tt -77.14 -22.0 53.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.878 -175.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -56.6 -44.29 80.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.845 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.836 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 43.7 mmtm -64.23 -58.78 5.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.3 p -68.99 -30.22 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.851 -173.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.4 t -60.76 -43.1 98.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -69.93 -41.1 75.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -55.96 -43.94 76.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.421 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.57 -49.42 72.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.957 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -77.94 -32.26 51.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.91 91.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.243 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.97 -38.4 76.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.403 ' OG ' HD13 ' A' ' 117' ' ' ILE . 27.2 m -58.38 -52.68 64.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.297 0.57 . . . . 0.0 110.125 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.7 t30 -59.21 -38.06 79.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.175 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.36 95.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.981 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -79.2 -17.84 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.951 0.405 . . . . 0.0 111.086 -175.655 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.542 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 24.1 mt -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.159 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 9.1 mm-40 -80.75 -28.35 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.988 0.423 . . . . 0.0 110.74 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.9 p -83.54 -60.06 2.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.209 -175.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 t -110.75 -38.24 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.793 0.33 . . . . 0.0 110.74 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.13 -11.69 34.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.297 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -117.95 127.87 75.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.542 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 14.7 t -100.85 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.403 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 48.9 t-20 -88.4 101.0 13.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.128 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.546 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.8 tp60 -64.07 -51.62 61.62 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.838 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.1 Cg_exo -51.81 -40.47 65.88 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 121.99 1.793 . . . . 0.0 112.581 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.5 -48.92 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.217 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.496 HD11 ' CG1' ' A' ' 112' ' ' VAL . 54.7 mt -69.62 -38.85 77.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.663 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.29 -31.37 72.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.69 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -77.57 -53.67 7.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.9 mm -54.84 -49.21 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 98' ' ' ALA . 16.5 p -56.85 -37.16 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.847 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.55 -24.43 22.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 71' ' ' MET . 34.2 tp -69.61 -42.45 74.36 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 120' ' ' ILE . 86.9 t -62.49 -44.98 99.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.882 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.2 t -58.89 -38.94 80.01 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.462 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -46.35 72.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.049 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -69.7 -24.64 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.73 -42.23 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.32 -29.69 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -111.01 86.18 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.95 16.12 5.74 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.054 -172.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.52 76.07 1.06 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.686 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -87.46 70.91 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.407 0.622 . . . . 0.0 110.048 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.15 37.71 2.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.675 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.21 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.102 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.9 m 60.15 30.7 20.11 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.406 -179.687 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -75.85 105.32 6.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.201 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 -127.01 3.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.966 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.74 -46.71 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.161 0.505 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -89.43 50.09 1.86 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.674 -174.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -140.65 20.29 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 109.875 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -69.65 -31.2 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 111.934 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.05 150.67 73.68 Favored Pre-proline 0 C--N 1.303 -1.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.075 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.62 -7.43 12.72 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.394 2.063 . . . . 0.0 112.24 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.575 ' HB2' HD12 ' A' ' 66' ' ' LEU . 6.4 m95 -95.4 2.6 54.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.861 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -72.63 -12.31 60.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.728 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -149.3 123.94 4.79 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.63 -36.86 82.64 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.095 2.53 . . . . 0.0 112.254 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.45 -37.67 69.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.875 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 15' ' ' LEU . 27.8 mt -67.03 -47.31 71.78 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 176.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.99 76.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.017 0.437 . . . . 0.0 110.599 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.4 -56.5 21.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.802 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.525 ' HB3' HG22 ' A' ' 108' ' ' THR . 12.5 m-80 -62.3 -42.5 99.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.443 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.54 -52.39 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.919 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.46 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 15.0 mmt -61.5 -42.11 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.775 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -61.67 -49.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.779 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -64.53 -40.2 95.18 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 101' ' ' MET . 59.6 t80 -59.75 -55.85 29.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.059 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.0 ttm -57.19 -47.97 79.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 15.9 mm-40 -66.58 -47.6 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.516 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -65.63 -33.0 84.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.16 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 tp -73.22 -36.68 66.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -62.17 -19.69 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.021 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -98.45 0.62 45.58 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.563 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 57.7 mtt -94.56 143.53 26.42 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.34 140.09 62.54 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.824 2.349 . . . . 0.0 112.362 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -28.98 6.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.101 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -107.11 129.42 54.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 0.0 111.603 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.05 159.23 15.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.214 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.78 -33.62 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -55.66 -38.15 69.21 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.065 0.459 . . . . 0.0 111.08 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.86 -44.15 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.88 -25.46 65.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.417 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.99 -42.78 99.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.575 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' OD2' HD11 ' A' ' 80' ' ' ILE . 18.8 t70 -78.26 -40.19 37.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.363 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.6 mtt -57.64 -28.31 63.58 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 111.612 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.2 m -69.41 -49.48 54.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.356 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.83 -47.25 86.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.918 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.85 -51.3 52.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.792 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.26 -47.68 63.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.582 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 33.1 t -61.08 -35.48 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.018 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.97 -46.4 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.994 -0.441 . . . . 0.0 110.076 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.524 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.9 t -60.77 -46.03 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 47' ' ' SER . 10.8 pt20 -61.11 -36.76 80.58 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.247 -176.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -65.25 -39.67 92.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.006 0.431 . . . . 0.0 110.212 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.25 -30.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.128 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 80.9 mm-40 -61.3 -58.16 9.39 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -61.46 -27.8 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.374 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt -79.55 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.947 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.12 -22.2 63.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -19.44 62.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.085 0.469 . . . . 0.0 110.799 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -98.91 6.21 46.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.062 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.28 -49.71 4.28 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.692 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.589 ' HD3' ' C ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -76.39 109.71 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -175.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.5 m -155.56 96.93 1.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.782 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 m -75.31 157.38 84.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.513 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -52.61 -28.73 38.16 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.828 2.352 . . . . 0.0 112.47 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -55.56 -36.86 67.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.2 mmmt -65.1 -41.85 94.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.104 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -72.9 -24.73 60.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -177.003 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -80.33 -25.88 39.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.561 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.9 -31.99 45.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.185 0.516 . . . . 0.0 110.427 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.2 mt -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.068 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -74.37 -25.93 59.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.439 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.6 mtm -88.04 -24.11 23.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 0.0 109.75 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.34 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.589 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' A' ' 77' ' ' MET . 12.4 p90 -70.64 -30.43 67.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.485 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.83 95.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -65.64 -40.31 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.102 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -74.16 -29.13 61.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 39.7 mtm -76.78 -24.11 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.773 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.18 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.246 0.341 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.68 -35.82 79.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.497 HD11 ' OD2' ' A' ' 40' ' ' ASP . 58.5 mt -73.67 -41.16 55.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.771 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 90' ' ' LEU . . . -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.864 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.15 6.73 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.451 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.2 t -65.71 126.04 27.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.034 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.65 -1.78 54.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.328 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.28 -43.56 86.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.63 136.77 8.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.02 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.23 -34.12 3.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.841 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.61 -86.32 1.52 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.851 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -94.38 -171.23 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' A' ' 81' ' ' ALA . 1.8 mt -85.18 -14.24 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -174.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -47.9 -49.25 30.43 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.823 0.449 . . . . 0.0 112.133 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 m -83.2 -13.34 55.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.465 0.65 . . . . 0.0 111.086 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 3.1 mmmm -90.09 -46.92 8.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.617 -172.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.6 p -70.48 -35.18 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.977 0.418 . . . . 0.0 111.063 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -62.15 -38.7 90.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 p -75.74 -44.82 39.88 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -50.9 -53.04 15.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.875 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.28 79.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.898 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -76.41 -40.24 51.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.383 -174.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.42 92.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.15 0.5 . . . . 0.0 110.483 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 28.8 mtp -64.38 -41.34 96.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.06 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.48 ' HA ' HG11 ' A' ' 112' ' ' VAL . 34.0 t -61.93 -46.94 87.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.477 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.977 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.82 -42.5 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.051 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.414 ' HB3' HG22 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.195 -178.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 84.5 mt -75.53 -29.65 59.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 23.9 mm-40 -77.54 -21.53 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.002 0.429 . . . . 0.0 110.729 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.525 HG22 ' HB3' ' A' ' 18' ' ' ASN . 16.2 p -98.76 -62.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -173.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 111' ' ' VAL . 15.0 t -118.37 -20.38 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.754 -173.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.58 -2.1 53.17 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.629 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.445 ' H ' HG23 ' A' ' 109' ' ' THR . 4.3 p -133.76 134.54 56.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.975 0.416 . . . . 0.0 110.434 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 102' ' ' SER . 4.1 t -112.01 141.49 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.953 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -93.15 96.46 10.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.3 tp60 -67.6 -47.61 45.51 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.378 -175.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.3 Cg_exo -51.66 -43.66 49.36 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.993 1.795 . . . . 0.0 112.051 176.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' ' 120' ' ' ILE . 61.5 t80 -52.01 -54.17 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.687 174.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.431 HG12 ' HE2' ' A' ' 101' ' ' MET . 75.5 mt -62.51 -41.21 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.488 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 89.8 m-20 -68.06 -24.28 65.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -91.33 -30.79 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.876 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 116' ' ' PHE . 26.5 mm -60.52 -45.55 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.548 177.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.9 p -59.76 -33.34 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 70.5 mt-30 -66.93 -50.43 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.425 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.42 -49.1 68.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.656 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 120' ' ' ILE . 86.3 t -54.36 -51.5 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.425 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 29.0 p -65.73 -38.01 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.316 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -44.77 82.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.351 0.119 . . . . 0.0 111.15 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -72.0 -28.36 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.64 0.257 . . . . 0.0 110.988 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.52 67.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 125' ' ' SER . 30.9 mm-40 -75.61 -44.53 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.079 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.69 30.33 15.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.317 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -77.8 5.59 52.07 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.026 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.36 -45.98 91.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 110.066 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -166.0 133.73 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.251 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -153.46 106.67 2.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.281 0.563 . . . . 0.0 110.413 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.88 -3.72 8.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.318 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.6 t -71.73 -32.96 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.406 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.889 177.922 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -76.62 80.73 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 111.107 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.0 67.61 3.36 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.612 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -77.96 -8.28 57.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.429 ' HB3' HD21 ' A' ' 113' ' ' ASN . 37.1 m80 -76.62 114.61 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.163 0.506 . . . . 0.0 110.63 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.1 m -86.31 151.03 23.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.448 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 p -113.23 151.57 44.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.893 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.57 -16.85 43.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.377 2.052 . . . . 0.0 112.708 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.58 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.8 m95 -97.02 5.85 49.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -70.27 -12.5 61.63 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -151.21 126.42 4.78 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 52.2 Cg_exo -53.98 -33.46 72.78 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.021 2.48 . . . . 0.0 112.584 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.34 67.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.769 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 34.4 mt -64.2 -40.01 95.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.48 85.41 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.301 0.376 . . . . 0.0 110.688 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -63.47 -54.8 30.8 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.472 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HB3' HG22 ' A' ' 108' ' ' THR . 6.2 m-20 -59.5 -44.16 93.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.197 -175.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.51 -49.59 77.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.579 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.418 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 10.7 mmt -61.83 -45.59 93.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.6 OUTLIER -63.46 -44.97 92.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.791 0.329 . . . . 0.0 111.358 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -64.77 -34.22 77.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.18 0.515 . . . . 0.0 110.482 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.72 -54.66 24.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.652 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 22.2 ptm -62.75 -38.55 90.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.945 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.82 -42.25 64.02 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.942 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -67.62 -41.64 89.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.956 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.12 -32.18 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 0.0 110.775 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.4 t -66.25 -20.54 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.547 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 t -93.0 -7.27 46.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.477 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.7 mtt -97.2 153.75 38.35 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.55 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.45 165.41 31.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.702 2.268 . . . . 0.0 112.673 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.62 -37.87 3.32 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.907 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 55.6 m-85 -97.95 130.46 44.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 111.999 -176.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.7 161.57 13.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.26 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.4 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -61.15 -38.57 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.755 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -79.16 -34.75 42.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.564 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.08 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.64 -44.53 96.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.407 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -73.88 -39.3 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.06 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.15 -39.85 69.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.067 0.46 . . . . 0.0 110.708 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -35.35 79.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.4 m -68.79 -41.75 78.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -64.12 -19.33 65.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.214 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 43' ' ' THR . 11.7 pt20 -98.47 -50.65 4.22 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.991 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.9 m -80.68 -29.39 36.56 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -172.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.19 -42.3 99.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.277 0.56 . . . . 0.0 109.619 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 50.5 t -62.24 -48.63 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.351 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 52.4 mt-30 -56.57 -37.57 70.77 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -60.36 -46.02 91.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.248 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.38 -34.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.447 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 39.8 mt-30 -61.41 -29.43 69.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 110.632 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -86.73 -44.39 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.182 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.87 -43.83 98.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.82 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.26 -10.13 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.807 0.337 . . . . 0.0 111.527 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.55 -68.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.493 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -93.85 -14.28 26.29 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -174.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.33 -158.34 21.92 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.916 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -130.45 126.48 37.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.455 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 12.1 m -104.64 93.32 4.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.394 0.616 . . . . 0.0 111.076 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -83.71 160.3 58.93 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.053 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.08 -34.71 69.32 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.572 2.181 . . . . 0.0 112.411 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.09 -27.03 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.474 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -69.0 -37.21 78.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 0.0 109.883 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.9 mm? -69.55 -16.23 63.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -97.6 -8.2 29.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -101.63 -42.65 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.168 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -23.84 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.994 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -72.76 -26.7 61.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.222 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 15.7 ptp -94.38 -23.1 17.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.71 -55.52 26.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.783 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.3 p90 -71.67 -27.61 63.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.314 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.55 77.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.631 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -66.02 -37.79 86.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -65.58 -38.17 88.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 48.6 mtm -76.57 -28.75 56.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.01 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.7 -43.92 80.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.65 -46.02 90.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.06 -41.06 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.857 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -67.24 -39.61 86.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.498 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -92.19 16.38 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.168 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 m -73.0 135.61 44.98 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -75.25 100.78 4.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.09 175.88 10.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.717 -175.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.36 128.52 18.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.671 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.54 23.58 0.8 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.347 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.93 -162.81 54.0 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.611 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.2 p -101.42 -162.33 0.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.565 0.346 . . . . 0.0 110.846 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 8.9 mp -61.29 -22.6 65.01 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -53.29 -35.28 59.92 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.341 0.401 . . . . 0.0 111.28 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -91.37 -46.9 7.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.461 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.2 mptt -54.11 -60.65 3.04 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.8 p -60.38 -39.89 88.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.832 -170.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -61.28 -41.46 96.98 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 120.952 0.406 . . . . 0.0 111.203 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 m -68.34 -45.05 73.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.5 mt -53.46 -50.96 45.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 111.013 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.495 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -71.32 -37.88 71.73 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -173.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.21 87.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.9 mtm -67.44 -39.52 85.4 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.662 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -49.9 72.38 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.737 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.4 t30 -68.32 -38.74 81.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.469 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -50.17 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.88 -10.22 59.73 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.07 0.462 . . . . 0.0 111.28 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 51.7 mt -80.0 -24.98 40.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.358 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 30.0 mm-40 -81.7 -20.3 39.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.738 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.4 HG22 ' HB3' ' A' ' 18' ' ' ASN . 39.4 p -92.78 -63.57 1.21 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.021 -175.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 111' ' ' VAL . 3.3 t -114.23 -31.06 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.682 0.277 . . . . 0.0 111.21 -176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.93 -3.4 41.44 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.056 -1.068 . . . . 0.0 112.797 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 109' ' ' THR . 21.8 t -128.09 130.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 117' ' ' ILE . 2.4 t -114.07 158.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.893 0.377 . . . . 0.0 110.272 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 46.4 t-20 -97.52 98.7 10.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.729 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.519 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.6 tp60 -64.93 -48.86 70.89 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.375 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.7 Cg_exo -52.64 -39.68 75.27 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.01 1.807 . . . . 0.0 112.074 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' O ' HG12 ' A' ' 120' ' ' ILE . 54.9 t80 -55.86 -55.96 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.448 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 112' ' ' VAL . 61.0 mt -59.57 -40.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.877 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 84.5 m-20 -60.12 -52.92 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.33 -36.24 82.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 116' ' ' PHE . 23.5 mm -59.83 -45.65 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.98 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.8 p -62.52 -25.41 68.02 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.809 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.1 mm-40 -71.12 -56.67 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.36 -49.69 60.97 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.395 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.7 t -56.51 -46.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.7 m -67.13 -39.9 86.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -49.94 64.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.661 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.55 -39.28 93.48 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 111.291 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -67.46 -51.37 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.642 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -76.05 -37.93 57.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.087 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 56.0 37.56 28.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.171 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.25 -5.48 48.95 Favored Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.2 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.9 ptp -71.54 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.24 0.543 . . . . 0.0 110.59 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -81.68 102.12 10.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.399 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -113.52 75.66 0.93 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.189 0.519 . . . . 0.0 110.336 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.78 -3.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.44 0.638 . . . . 0.0 110.263 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -92.05 20.07 6.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.155 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.895 179.503 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.047 -0.421 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -67.36 -57.97 5.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.51 -101.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.008 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -85.98 77.15 9.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.106 0.479 . . . . 0.0 110.462 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -79.83 101.33 8.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.325 0.583 . . . . 0.0 110.228 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -126.15 23.93 6.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.576 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -63.09 -30.42 71.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.691 0.757 . . . . 0.0 111.045 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -147.61 151.21 38.83 Favored Pre-proline 0 C--N 1.308 -1.209 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.07 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.32 4.83 3.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.544 2.162 . . . . 0.0 112.515 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.568 ' HB2' HD12 ' A' ' 66' ' ' LEU . 15.8 m95 -106.78 7.11 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -71.08 -18.01 62.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.284 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -145.75 123.18 6.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.593 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.61 -35.61 77.95 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.072 2.515 . . . . 0.0 112.312 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.21 -37.73 95.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.765 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.44 -44.92 63.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.16 76.69 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.383 0.427 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.4 -52.81 62.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' HB3' HG22 ' A' ' 108' ' ' THR . 11.8 m-80 -61.42 -43.24 99.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.443 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.74 -51.73 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.946 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 24' ' ' MET . 10.9 mmt -59.4 -50.0 75.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -58.28 -37.83 75.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.367 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -75.01 -39.47 61.14 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.072 0.463 . . . . 0.0 110.539 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' CE1' HD12 ' A' ' 27' ' ' LEU . 31.1 t80 -60.63 -56.78 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.431 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 20' ' ' MET . 23.1 ptm -58.42 -44.23 89.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 14.3 mm-40 -72.85 -38.31 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.389 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 -35.5 74.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.752 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -70.25 -34.43 72.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 0.0 110.325 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.4 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 42.7 m -65.5 -17.12 64.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.159 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.5 t -91.64 -11.5 36.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.37 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.0 mtt -91.41 150.78 41.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.8 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.12 165.13 33.55 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.576 2.184 . . . . 0.0 112.553 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.84 -20.09 49.43 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.017 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 93' ' ' LYS . 82.3 m-85 -123.34 151.07 42.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.121 0.486 . . . . 0.0 111.029 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -112.81 160.35 18.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.636 171.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.84 47.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 111.234 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -62.15 -29.4 70.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 73.6 mt-30 -85.09 -43.56 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.24 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 34' ' ' THR . 1.1 mm? -66.69 -21.16 66.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.637 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.54 -46.27 80.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.623 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' O ' HG13 ' A' ' 44' ' ' ILE . 35.6 t70 -74.03 -36.87 64.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.247 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.5 mtt -59.4 -34.16 72.11 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -58.86 -45.48 90.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 109.861 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.563 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 93.9 m -67.54 -42.35 82.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.171 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 40' ' ' ASP . 73.7 mt -57.76 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.45 73.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.187 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.64 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.26 -33.2 75.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -175.267 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 t -84.22 -34.35 23.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.561 0.219 . . . . 0.0 111.283 -176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.22 -45.9 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 0.0 109.974 -178.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.33 -45.2 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.171 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 63.2 mm-40 -64.0 -32.01 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -61.98 -40.87 97.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.205 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -77.53 -32.5 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.525 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -73.14 -25.0 60.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.884 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 tt -72.33 -52.01 18.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.43 -2.94 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.15 -28.01 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.895 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -95.34 -15.45 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.994 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.88 -90.42 0.28 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.031 -1.081 . . . . 0.0 114.322 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.13 155.62 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -167.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 t -136.15 -43.77 0.64 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.886 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.0 m 73.03 147.89 0.12 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 123.371 0.668 . . . . 0.0 111.722 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.38 -29.23 23.17 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.055 3.17 . . . . 0.0 114.554 -172.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.6 -33.19 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.658 0.266 . . . . 0.0 111.621 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 -39.91 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.071 0.462 . . . . 0.0 110.702 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -71.85 -22.63 61.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.305 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.44 4.7 26.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.31 -34.13 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.072 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.482 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 85.8 mt -66.7 -27.83 67.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.008 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -66.8 -41.27 87.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.812 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -79.77 -20.25 46.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 110.316 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.79 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.096 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -70.29 -26.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.218 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.24 81.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.0 t -67.3 -30.29 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -70.96 -44.02 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.998 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 mtm -71.77 -24.22 61.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.74 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.73 72.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.188 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.12 -38.57 79.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.106 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 62.4 mt -74.79 -42.67 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.724 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.29 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.214 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -91.87 10.73 27.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 0.0 111.242 178.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -97.52 111.71 23.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.27 66.03 3.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' HB3' HE21 ' A' ' 37' ' ' GLN . 2.5 tm-20 -80.55 -79.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.003 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -115.64 44.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 175.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.87 116.14 0.41 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.26 -99.66 0.25 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.63 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -51.87 145.36 9.91 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.511 0.672 . . . . 0.0 112.681 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.438 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.8 OUTLIER -68.67 -13.87 62.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.461 -177.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -49.26 -52.01 30.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.022 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -67.93 -40.25 83.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.1 0.476 . . . . 0.0 110.814 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 6.1 mttt -58.61 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.507 -174.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.438 HG23 ' CD2' ' A' ' 90' ' ' LEU . 2.5 p -61.19 -40.75 95.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.707 0.289 . . . . 0.0 111.379 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 m -60.5 -44.23 96.2 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.6 m -68.77 -45.37 71.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.5 mt -56.63 -47.68 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.023 0.44 . . . . 0.0 110.829 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.62 76.9 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.621 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m -68.76 -38.55 80.17 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -173.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.49 86.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.282 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.59 -39.4 91.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 112' ' ' VAL . 33.0 t -59.22 -47.41 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.489 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -66.77 -44.54 81.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.11 71.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.95 -176.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -77.39 -16.87 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.961 0.41 . . . . 0.0 110.971 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' HG21 ' A' ' 112' ' ' VAL . 19.4 mt -73.91 -30.84 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.42 174.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.48 -37.72 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.176 0.512 . . . . 0.0 110.462 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 18' ' ' ASN . 36.2 p -75.75 -60.36 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.478 -173.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.0 t -114.37 -30.26 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.209 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.27 -14.76 58.12 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.062 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 109' ' ' THR . 4.7 t -118.62 120.46 64.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 105' ' ' PHE . 2.9 t -114.88 151.2 16.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.924 0.392 . . . . 0.0 110.763 -177.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.442 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 52.6 t-20 -92.35 104.44 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.058 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.421 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 27.5 tp60 -65.01 -54.61 33.02 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.978 -175.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.442 ' HG2' ' OD1' ' A' ' 113' ' ' ASN . 3.0 Cg_endo -51.43 -39.76 63.6 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.237 1.958 . . . . 0.0 112.517 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.512 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.0 t80 -53.53 -53.28 53.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.507 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 112' ' ' VAL . 79.3 mt -59.81 -41.08 84.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.093 -178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.53 -49.37 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.075 0.464 . . . . 0.0 110.335 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 32.8 tt0 -58.71 -37.83 76.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 116' ' ' PHE . 22.0 mm -60.4 -51.47 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.121 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -60.71 -32.4 71.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.163 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.1 -39.5 65.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.621 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 85.7 mt -61.99 -51.88 66.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.286 175.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.4 t -54.75 -48.22 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.574 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.7 t -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -48.04 77.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -176.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.83 -36.62 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -68.09 -42.71 79.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.322 -178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -69.83 -47.05 64.21 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.472 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.91 27.91 11.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.608 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -87.7 57.29 4.41 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.042 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mmt -76.36 -37.82 56.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.302 0.572 . . . . 0.0 109.741 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -81.75 129.43 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.198 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -106.55 4.66 28.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.33 -12.56 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.0 m -98.75 -7.19 28.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 0.0 110.288 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.292 -178.91 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -73.76 -18.68 60.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 110.828 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.47 0.26 88.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.656 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -81.34 76.06 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 109.283 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -102.23 122.18 43.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.254 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -121.34 23.32 10.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.546 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -66.69 102.02 0.87 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.776 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -80.53 143.14 54.65 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.879 -178.081 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 21.8 Cg_exo -65.61 2.68 1.46 Allowed 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.081 2.521 . . . . 0.0 113.104 -176.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.559 ' HB2' HD22 ' A' ' 66' ' ' LEU . 8.2 m95 -93.5 1.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.614 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 p -59.76 -36.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -128.31 132.72 24.51 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.538 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.83 -32.22 96.78 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.48 2.12 . . . . 0.0 111.926 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.54 87.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.935 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.46 -38.44 91.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.435 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.08 -50.53 72.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' HB3' HG22 ' A' ' 108' ' ' THR . 7.1 m-20 -60.92 -48.97 79.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.942 -176.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -58.89 -48.76 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 7.8 mmt -60.02 -43.88 94.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.17 -42.9 75.26 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.649 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -68.6 -37.09 79.53 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.819 0.342 . . . . 0.0 110.652 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 53.2 t80 -62.74 -52.56 62.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.253 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.2 ttm -54.87 -52.55 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.48 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.81 -44.6 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.057 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.99 -23.56 74.42 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.481 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.5 tp -78.46 -26.48 46.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.93 0.395 . . . . 0.0 110.016 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -73.38 -14.02 61.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.065 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -89.43 -3.39 58.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.506 ' HG3' HD12 ' A' ' 27' ' ' LEU . 21.7 mmt -91.22 147.41 35.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.32 -17.31 24.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.152 2.568 . . . . 0.0 113.036 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.48 82.74 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.553 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' A' ' 93' ' ' LYS . 91.7 m-85 -114.1 157.44 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.096 0.474 . . . . 0.0 111.896 -173.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.46 154.69 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.85 51.61 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -60.57 -29.99 69.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.27 -33.45 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.219 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.7 -27.03 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.0 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.98 -37.78 88.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.54 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.62 -40.48 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.2 mtt -60.65 -21.13 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.02 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 t -60.46 -37.25 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 109.71 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 70.2 m -68.94 -43.54 74.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.571 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.32 -43.07 92.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.084 0.469 . . . . 0.0 109.953 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.26 -53.86 53.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.85 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.3 pt20 -64.75 -39.4 93.56 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.404 -175.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 t -63.13 -45.79 90.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.44 -43.07 95.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.779 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 45' ' ' ALA . 88.8 t -63.01 -53.3 48.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.207 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.46 -26.97 68.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 111.216 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -64.35 -33.23 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.88 -32.88 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -54.09 -46.28 72.03 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 p -74.01 -43.46 57.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.02 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.9 -43.12 95.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.646 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -20.79 55.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.332 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.57 -42.28 29.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.403 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.32 -15.94 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.563 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.8 -106.06 0.27 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.605 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.517 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 4.0 ppt_? -125.2 173.17 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.505 0.669 . . . . 0.0 112.551 -173.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.6 m -122.88 136.27 54.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.695 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -86.96 146.44 40.67 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.5 -27.79 83.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.47 2.113 . . . . 0.0 111.831 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -60.82 -31.67 71.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.703 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 47.8 mmtt -62.37 -44.27 96.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 10' ' ' TRP . 12.7 mt -69.01 -27.83 66.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -88.85 3.4 51.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.11 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.67 -42.29 3.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.508 . . . . 0.0 109.834 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.8 mt -65.36 -26.62 68.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.31 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -69.38 -35.71 76.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 110.918 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtm -85.29 -28.24 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.73 -58.6 7.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.89 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.486 ' O ' ' HG3' ' A' ' 77' ' ' MET . 17.2 p90 -67.61 -31.04 70.8 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.419 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.3 96.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.508 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.11 -41.11 97.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.388 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 m -65.21 -41.7 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.9 mtm -74.22 -24.81 59.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.046 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.03 80.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.797 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.09 -36.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.437 0.637 . . . . 0.0 110.124 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.13 -28.16 69.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.407 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.02 11.69 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.394 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.5 t -79.49 130.3 35.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.616 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.68 120.76 31.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -151.36 -166.13 2.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.936 -168.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.92 37.47 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.388 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -159.6 8.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.976 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.85 160.05 53.25 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.981 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 m -73.59 -176.74 2.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.555 0.217 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.69 -32.66 70.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.802 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.115 0.483 . . . . 0.0 110.48 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -79.95 -34.6 38.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.983 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 40.3 mmtm -54.1 -60.34 3.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.706 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 p -61.57 -40.58 95.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.418 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -35.07 77.75 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 m -70.9 -45.5 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.328 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.59 -50.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.209 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.506 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -55.26 -54.05 48.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.443 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -64.45 -39.09 93.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.256 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.69 -46.98 73.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 110.589 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.421 ' OG ' HD13 ' A' ' 117' ' ' ILE . 27.6 m -52.43 -53.28 47.34 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.7 t30 -64.7 -39.03 92.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.641 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.12 60.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 112' ' ' VAL . 3.1 t80 -71.64 -17.27 62.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.977 -174.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.19 -20.1 60.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.675 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.2 mm-40 -91.1 -29.42 17.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 18' ' ' ASN . 34.8 p -78.12 -57.91 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.852 -175.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.6 t -119.59 -23.46 6.57 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.384 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.38 -12.7 56.99 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.275 -0.964 . . . . 0.0 113.538 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 109' ' ' THR . 23.6 t -128.13 130.91 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 105' ' ' PHE . 2.0 t -123.07 164.86 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 116' ' ' PHE . 2.5 m-80 -100.12 134.08 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.938 -175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 22.0 tp60 -66.13 -50.66 49.79 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.694 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 23.5 Cg_exo -64.29 -34.26 56.33 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.778 1.652 . . . . 0.0 112.276 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 113' ' ' ASN . 75.2 t80 -58.26 -55.53 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.548 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.483 HD11 HG11 ' A' ' 112' ' ' VAL . 43.3 mt -64.88 -37.02 79.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -175.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -66.13 -47.87 72.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.135 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.659 ' O ' HD22 ' A' ' 123' ' ' LEU . 2.7 tp10 -56.17 -51.45 67.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.17 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.8 mm -55.27 -47.73 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.506 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.5 p -59.91 -28.53 67.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 126' ' ' MET . 76.8 mt-30 -72.18 -49.8 32.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.8 -52.89 61.24 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.336 175.505 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.0 t -52.32 -45.92 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 123.333 0.395 . . . . 0.0 111.063 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.9 m -65.1 -45.95 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 32.3 mmt -61.95 -50.62 71.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.08 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.44 -31.94 73.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.457 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.45 -56.29 13.29 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.62 -42.95 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.82 85.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.294 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 72.37 39.37 57.25 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.868 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.9 ptp -165.17 158.73 16.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -92.17 156.35 17.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -82.54 -13.15 57.11 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.8 t -79.46 55.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.243 1.021 . . . . 0.0 109.356 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.1 m -155.8 17.64 0.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.362 -1.29 . . . . 0.0 108.891 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.109 -175.401 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -97.72 3.54 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.95 88.17 1.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.14 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.26 143.07 50.29 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -66.55 111.55 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.92 0.39 . . . . 0.0 111.076 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -121.96 106.29 11.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -114.8 -17.65 11.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.025 0.917 . . . . 0.0 110.509 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.15 167.37 14.66 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.022 -175.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.09 -2.82 7.99 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.238 1.959 . . . . 0.0 112.387 174.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 13.2 m95 -102.9 1.8 34.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -3.51 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 111.463 -177.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.2 135.09 8.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HG3' ' HB2' ' A' ' 56' ' ' ALA . 37.6 Cg_endo -67.51 -33.2 29.71 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.285 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.95 67.04 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 15' ' ' LEU . 39.2 mt -67.4 -38.14 84.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.983 -0.108 . . . . 0.0 110.743 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.69 -53.11 60.6 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.46 0.475 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.317 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HB3' HG22 ' A' ' 108' ' ' THR . 15.5 m-80 -68.59 -43.87 75.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.687 0.28 . . . . 0.0 110.507 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.78 -51.42 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.39 174.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mmt -58.23 -44.69 88.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.904 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -65.96 -46.49 77.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.297 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -63.64 -37.36 87.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.244 0.545 . . . . 0.0 110.42 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.14 -56.81 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.573 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -61.91 -46.35 89.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.824 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -67.66 -36.21 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -74.76 -34.09 54.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.052 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -74.89 -30.67 61.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.932 0.396 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 t -64.82 -17.04 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -101.97 0.59 35.49 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.442 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 65.4 mtt -94.85 150.57 38.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.65 0.262 . . . . 0.0 110.787 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.97 167.99 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 123.01 2.473 . . . . 0.0 112.73 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 -43.52 2.49 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.466 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -91.45 150.68 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.243 0.545 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -111.83 156.69 21.6 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.22 -33.8 54.42 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -57.42 -43.75 84.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 17.8 mp0 -65.17 -38.9 91.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.3 mm? -69.22 -27.92 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.63 -41.03 93.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 109.697 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.69 -42.63 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.746 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 mtt -63.54 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.714 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.9 m -63.55 -42.9 98.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.503 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.55 -41.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.16 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.85 -17.63 63.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.222 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.54 -57.92 2.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 110.732 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 6.2 t -67.59 -35.41 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.779 -170.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.2 mmm -64.74 -43.61 92.81 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.257 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 70.8 t -67.18 -46.45 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.213 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.1 pt20 -59.86 -36.17 76.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 110.796 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -63.21 -39.26 94.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.206 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -80.0 -22.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.596 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.9 mm-40 -66.66 -49.7 65.33 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -66.71 -26.65 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.098 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD11 HG23 ' A' ' 61' ' ' THR . 9.5 tt -64.52 -36.54 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.074 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' HB2' ' HG3' ' A' ' 13' ' ' PRO . . . -66.9 -29.83 69.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.41 80.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.006 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -88.96 1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 -65.01 3.38 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.053 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 6.3 ppt_? -92.58 168.13 11.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.863 0.363 . . . . 0.0 111.882 -171.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.526 HG23 HD11 ' A' ' 55' ' ' LEU . 5.1 m -116.37 -62.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.35 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m 79.48 131.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.444 0 O-C-N 124.212 0.945 . . . . 0.0 110.539 -174.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.44 -27.02 56.62 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.798 2.999 . . . . 0.0 113.976 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.21 -31.48 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.665 0.269 . . . . 0.0 111.379 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 61' ' ' THR . 23.3 mmmt -65.32 -41.3 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.552 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.2 mm? -70.41 -25.02 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.259 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -97.88 6.5 47.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.947 0.403 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.82 -47.2 3.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.252 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.27 -27.16 68.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.17 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.83 -29.26 23.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.65 -58.76 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.56 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.4 p90 -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.459 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.56 94.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.703 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 t -65.92 -41.46 91.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 m -66.97 -36.71 82.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.8 mtm -73.0 -28.97 62.69 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.811 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.45 -45.25 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.34 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.11 -37.14 86.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.497 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.75 -38.57 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 90' ' ' LEU . . . -66.77 -35.63 80.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.501 -178.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.39 12.58 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.161 0.505 . . . . 0.0 111.497 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 t -88.61 123.81 33.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.49 52.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -169.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' HB2' HE22 ' A' ' 37' ' ' GLN . 1.5 mp0 -82.8 -153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -49.96 100.25 0.04 OUTLIER Glycine 0 C--N 1.336 0.56 0 O-C-N 123.169 0.293 . . . . 0.0 113.057 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.59 -50.45 0.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.56 -75.74 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.418 -0.391 . . . . 0.0 114.068 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 p -53.97 137.56 39.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -169.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 tm? -81.79 -32.92 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.356 174.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -54.36 -42.93 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -71.32 -23.76 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.416 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 29.4 mmtm -66.36 -53.56 34.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.144 0.497 . . . . 0.0 110.315 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.5 p -64.29 -39.47 94.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.728 -173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.1 m -61.23 -39.95 92.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.902 0.382 . . . . 0.0 111.251 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -69.93 -45.28 67.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 101' ' ' MET . 77.2 mt -53.73 -44.87 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.809 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.28 -50.13 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.476 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -73.8 -36.63 65.02 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -173.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.22 84.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.7 mtm -68.32 -40.36 81.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.43 ' HA ' HG11 ' A' ' 112' ' ' VAL . 8.6 t -62.28 -45.2 94.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.841 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -64.38 -36.34 83.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.928 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.43 93.98 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.613 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -65.29 -34.0 77.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.804 0.335 . . . . 0.0 111.433 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.406 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 82.5 mt -74.38 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.539 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.8 mm-40 -85.4 -31.14 23.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.53 176.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 18' ' ' ASN . 17.1 p -88.31 -65.76 0.98 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.461 -172.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.4 t -115.42 -18.03 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.68 0.276 . . . . 0.0 111.402 -175.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.11 66.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.91 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 109' ' ' THR . 2.6 p -133.17 127.22 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.205 0.526 . . . . 0.0 110.661 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 117' ' ' ILE . 4.2 t -110.92 145.68 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.857 -176.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.49 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.9 t30 -104.39 108.22 19.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.465 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.3 tp60 -69.95 -47.91 22.06 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.526 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 76.4 Cg_exo -52.2 -32.91 52.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 122.145 1.897 . . . . 0.0 112.424 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.8 t80 -62.03 -50.58 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.547 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.514 HD11 ' CG1' ' A' ' 112' ' ' VAL . 58.0 mt -64.89 -41.38 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.594 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.92 -47.41 85.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.259 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 7.6 tp10 -55.48 -50.51 69.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.188 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.4 mm -61.48 -47.36 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.794 -176.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 28.0 p -59.1 -30.46 68.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.522 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.98 -47.93 19.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.911 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -55.79 -52.4 64.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.249 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.7 t -57.89 -45.06 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.004 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -63.38 -31.7 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.321 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.4 mmt -80.99 -49.78 10.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.054 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.44 -33.69 74.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.165 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.79 -52.17 58.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -72.23 -28.21 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.444 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -87.23 -5.16 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 110.828 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -84.72 37.45 2.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.562 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.7 ptp -76.16 -20.84 57.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.028 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -170.77 137.47 1.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.26 70.88 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.814 0.816 . . . . 0.0 111.092 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 20.7 m -123.21 -4.08 7.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.41 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.8 m -89.17 -15.19 34.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.863 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.793 178.773 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 72.48 -46.28 0.64 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.647 0.779 . . . . 0.0 111.927 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.41 -142.73 3.69 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.548 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.1 118.23 20.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.832 0.349 . . . . 0.0 110.199 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -74.05 -10.04 59.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.504 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -75.31 85.95 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -127.37 141.6 51.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.642 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.5 153.93 40.24 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 13.58 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.54 2.16 . . . . 0.0 113.399 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.507 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 26.8 m95 -108.77 9.91 26.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.796 0.332 . . . . 0.0 110.621 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -68.16 -33.45 74.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.111 0.481 . . . . 0.0 111.382 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -125.15 135.77 27.28 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.825 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.43 -41.31 77.52 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.432 2.088 . . . . 0.0 111.637 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.64 97.16 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.16 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 15' ' ' LEU . 29.3 mt -67.06 -38.14 85.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 122.526 -0.396 . . . . 0.0 110.657 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.119 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB3' HG11 ' A' ' 49' ' ' VAL . 12.7 pt-20 -65.09 -39.42 93.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.59 0.233 . . . . 0.0 110.882 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.508 ' HB3' HG22 ' A' ' 108' ' ' THR . 82.4 m-20 -67.92 -44.71 76.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.796 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.97 -50.66 70.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.117 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.5 mmt -59.66 -47.37 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.827 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.78 -48.85 79.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.529 0.204 . . . . 0.0 111.171 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.36 -40.09 93.13 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.49 -52.74 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.243 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.518 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 43.0 ttp -56.81 -51.77 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.499 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -68.94 -40.47 78.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.173 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -36.33 91.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.892 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.3 tp -69.29 -27.03 65.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.463 . . . . 0.0 110.6 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -69.13 -19.89 64.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -95.06 -5.27 44.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.648 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.444 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.1 mmt -84.62 143.33 40.91 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.32 149.75 45.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.217 1.945 . . . . 0.0 111.278 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.31 -28.82 10.97 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.55 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -100.42 169.56 9.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -137.37 159.71 41.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.089 -175.199 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -43.01 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 t -59.48 -32.67 70.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.389 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 2.9 mp0 -83.93 -29.37 27.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.298 0.57 . . . . 0.0 110.863 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 34' ' ' THR . 72.2 mt -72.75 -20.09 61.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.144 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.92 -48.92 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.428 176.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.77 -39.71 87.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.814 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -55.24 -39.87 70.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.518 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 10.3 t -62.68 -40.23 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -63.11 -46.01 89.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.619 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.18 -43.96 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.39 55.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.956 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -94.34 -51.66 4.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 111.187 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.3 t -58.88 -48.53 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.244 -174.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.8 -45.9 81.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.0 110.597 -175.08 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 17' ' ' GLU . 34.2 t -69.29 -23.76 27.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.045 -174.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -58.65 -31.13 67.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.4 t -63.38 -49.86 72.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.48 -30.11 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.767 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -62.88 -46.66 86.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.226 0.536 . . . . 0.0 110.493 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -76.63 -41.54 45.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.153 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.61 -41.02 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.114 -175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -4.03 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.85 -7.09 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.6 0.238 . . . . 0.0 111.133 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -145.41 -67.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.19 0.519 . . . . 0.0 111.376 -175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.14 16.44 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.426 -0.806 . . . . 0.0 113.627 -170.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.642 ' HD2' ' N ' ' A' ' 61' ' ' THR . 9.0 tpt180 -137.34 134.33 35.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.479 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.642 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 0.3 OUTLIER -91.33 -65.76 0.98 Allowed 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 120.491 -0.484 . . . . 0.0 112.246 174.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m 67.71 163.72 0.13 Allowed Pre-proline 0 CA--C 1.533 0.307 0 O-C-N 123.408 0.442 . . . . 0.0 109.95 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.11 -18.76 18.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.439 2.093 . . . . 0.0 112.485 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.84 -53.55 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.157 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HG3' ' HA ' ' A' ' 61' ' ' THR . 27.3 mmmt -64.03 -32.64 74.26 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.145 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -67.31 -21.01 65.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.795 0.331 . . . . 0.0 111.047 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -101.27 5.76 42.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.61 -41.99 3.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.931 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 94.3 mt -65.63 -28.77 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.374 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -65.07 -39.82 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -83.04 -26.91 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.45 -60.77 3.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.77 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' O ' ' HG3' ' A' ' 77' ' ' MET . 11.9 p90 -70.38 -25.91 63.46 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.49 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.71 89.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -67.19 -37.34 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.376 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -67.92 -45.63 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.1 mtm -68.1 -24.89 65.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.209 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -67.75 -32.63 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.157 0.503 . . . . 0.0 109.921 -178.626 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.512 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 78.8 mt -69.1 -48.22 70.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.487 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.46 94.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.435 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.31 29.79 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.376 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -76.68 -9.86 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.134 0.492 . . . . 0.0 110.868 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 63.33 25.92 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.897 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.4 OUTLIER -84.38 -177.84 6.74 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.612 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.421 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . -60.15 151.35 38.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.622 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.61 23.5 5.94 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.134 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.84 -160.85 53.97 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.085 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 72.2 p -96.14 -164.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.581 0.229 . . . . 0.0 110.974 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 17.7 mt -62.75 -16.95 60.0 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.703 0.401 . . . . 0.0 111.874 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 t -54.83 -40.09 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.484 0.49 . . . . 0.0 111.183 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 m -99.73 -19.75 16.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.087 0.47 . . . . 0.0 110.908 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 89' ' ' SER . 47.6 mmtm -64.02 -49.74 71.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.152 0.501 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -69.59 -40.93 76.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.694 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -60.63 -45.02 95.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.824 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -66.57 -41.18 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.74 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.8 mt -55.61 -53.67 34.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 120.968 0.414 . . . . 0.0 110.603 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.431 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -54.66 -49.29 70.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -68.32 -40.79 81.52 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.33 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.6 mtm -66.05 -43.02 88.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.154 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -56.18 -46.49 79.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.223 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.2 t30 -68.48 -46.09 70.64 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.32 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -43.16 94.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 0.0 110.32 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.94 -36.0 77.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.239 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -76.78 -16.72 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.606 0.241 . . . . 0.0 111.64 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 18' ' ' ASN . 21.8 p -100.71 -55.27 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.1 t -116.46 -17.06 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.421 . . . . 0.0 110.872 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.15 -17.64 58.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.91 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 109' ' ' THR . 25.0 t -110.61 136.23 47.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG2' HD11 ' A' ' 117' ' ' ILE . 11.6 p -117.33 146.9 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.829 0.347 . . . . 0.0 110.259 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.407 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.7 t-20 -106.03 104.29 13.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.271 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.524 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.1 tp60 -66.21 -50.09 51.77 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.227 -176.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 76.5 Cg_exo -52.01 -41.84 61.86 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.843 1.695 . . . . 0.0 112.256 174.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.473 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.5 t80 -56.38 -49.07 75.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.216 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.434 HD11 ' CG2' ' A' ' 112' ' ' VAL . 79.5 mt -64.53 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.242 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.22 -40.74 86.42 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.171 0.51 . . . . 0.0 110.108 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 45.2 tt0 -60.96 -48.21 82.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.2 mm -59.83 -50.68 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.014 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 4.1 p -59.16 -36.64 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 111.241 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -72.67 -39.49 67.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.2 mt -59.76 -49.49 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.364 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 120' ' ' ILE . 88.2 t -58.25 -39.57 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 m -60.94 -48.85 79.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -45.06 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -70.03 -15.05 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.25 -58.22 3.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 0.0 110.571 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.084 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.15 22.47 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.994 0.425 . . . . 0.0 110.533 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.28 51.44 4.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 60.4 mtm -112.98 55.74 0.69 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.038 0.447 . . . . 0.0 110.381 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.16 152.93 40.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.847 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 69.42 2.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.2 p -94.06 -27.14 4.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t -122.06 21.43 10.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 -177.556 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.563 ' HA3' ' OG ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.979 -0.449 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -106.13 15.07 26.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.03 -49.8 0.69 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.111 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.14 -24.52 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 111.36 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.563 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 9.1 m -64.98 -19.68 66.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.412 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -135.84 104.17 5.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.313 0.577 . . . . 0.0 110.777 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -62.31 125.32 23.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.499 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -107.88 162.17 20.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.641 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.05 -2.03 12.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.462 2.108 . . . . 0.0 113.164 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 18.4 m95 -98.05 6.09 47.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 p -66.83 -27.67 67.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.103 0.478 . . . . 0.0 111.876 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.97 130.68 17.65 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -56.08 -40.04 87.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.419 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.78 99.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.715 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 15' ' ' LEU . 25.2 mt -66.27 -42.0 89.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.72 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.318 0.387 . . . . 0.0 110.714 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.48 -54.06 51.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.639 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.495 ' HB3' HG22 ' A' ' 108' ' ' THR . 17.9 m-80 -60.75 -44.25 96.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.301 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -58.84 -52.68 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.625 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.432 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 6.5 mmt -60.36 -48.77 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.87 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.33 93.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -177.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -67.46 -27.92 67.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.157 0.503 . . . . 0.0 110.578 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -69.56 -56.12 8.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.615 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.664 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.3 ppp? -66.97 -41.14 87.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.754 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.664 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 14.8 mm100 -71.25 -28.43 64.16 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.258 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -80.02 -38.74 18.28 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.76 -34.95 79.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.787 -0.706 . . . . 0.0 111.31 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.514 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 m -68.09 -11.11 58.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.183 0.516 . . . . 0.0 110.843 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -102.35 -5.31 24.33 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.571 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.6 mtt -100.26 145.21 29.86 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.506 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.7 153.12 69.59 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.338 2.025 . . . . 0.0 112.062 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.06 -28.88 10.37 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.461 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -108.5 129.13 55.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.148 0.499 . . . . 0.0 111.194 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.525 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -90.9 158.04 16.99 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.23 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -38.5 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 111.289 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -63.39 -23.59 67.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.502 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -85.27 -41.4 15.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.903 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -66.45 -28.32 68.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.225 176.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.5 -43.72 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.024 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.33 -38.22 63.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 mtt -59.71 -33.53 71.73 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.894 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 t -59.8 -39.47 85.08 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.072 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.7 m -63.66 -45.46 90.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.94 -46.96 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -51.93 -58.46 6.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.774 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -58.87 -48.17 82.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.025 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.637 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 9.5 t -65.34 -34.96 79.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.769 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.7 mmm -65.88 -44.17 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.972 0.415 . . . . 0.0 110.207 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 45' ' ' ALA . 63.5 t -64.75 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.046 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -62.5 -32.21 73.08 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.663 -175.623 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.94 -41.77 74.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.449 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.2 -32.07 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -63.62 -55.15 25.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 m -58.53 -38.67 78.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.177 0.513 . . . . 0.0 110.834 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.52 -54.01 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.724 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.46 -22.39 60.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.765 -175.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.113 0.482 . . . . 0.0 109.94 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.36 -39.0 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.765 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 -17.98 27.17 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.008 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 114.4 26.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.931 0.396 . . . . 0.0 110.548 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 m -145.87 114.08 6.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -81.15 146.07 57.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.366 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.32 -25.39 56.51 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.972 2.448 . . . . 0.0 112.865 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.3 -30.33 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.719 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 22.0 mmmt -62.46 -39.23 92.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.16 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.32 -25.69 67.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.248 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 3.51 33.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.896 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.58 -36.63 7.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 109.483 173.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 96.4 mt -61.3 -29.21 69.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.617 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -70.55 -26.4 63.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.0 mtm -86.08 -29.64 23.22 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.43 -54.55 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.749 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.9 p90 -71.68 -27.51 63.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.372 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.88 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.3 t -63.54 -39.94 95.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -71.11 -36.94 72.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.4 mtm -74.26 -22.92 59.1 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.876 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.53 77.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.93 -33.72 74.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.28 0.562 . . . . 0.0 110.691 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.44 -45.76 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.874 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.59 -28.69 67.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.325 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -84.28 15.37 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 111.301 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.6 t -78.36 136.67 37.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.42 0.629 . . . . 0.0 109.946 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.88 0.48 9.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.9 146.46 25.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.05 67.76 1.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.434 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.82 2.95 83.17 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.854 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.72 -87.03 0.21 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.59 -0.338 . . . . 0.0 113.289 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.9 m -63.34 168.19 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.851 0.834 . . . . 0.0 112.65 -172.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.11 -9.56 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -54.33 -46.33 72.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.016 0.436 . . . . 0.0 111.473 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -84.15 -14.17 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.396 0.617 . . . . 0.0 110.668 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -79.52 -61.05 2.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.281 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.0 p -63.11 -37.29 86.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.917 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -57.86 -42.12 83.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.451 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.1 m -73.5 -41.64 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.68 -50.51 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.095 0.474 . . . . 0.0 110.884 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.98 90.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.462 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.4 m -75.26 -36.88 61.18 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.229 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.04 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.138 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.1 mtm -66.28 -40.08 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.476 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 26.2 t -58.82 -51.5 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.9 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.42 -38.74 88.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.84 95.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.399 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 112' ' ' VAL . 10.2 m-85 -62.48 -43.94 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 102' ' ' SER . 81.0 mt -66.5 -26.97 67.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.374 -176.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -88.34 -20.36 25.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.639 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 18' ' ' ASN . 12.0 p -90.86 -66.22 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.8 t -117.13 -2.98 11.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 0.0 110.257 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.44 -22.07 28.99 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.18 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 t -108.07 136.58 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 117' ' ' ILE . 14.2 p -108.61 150.97 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.353 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -104.25 95.58 6.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 0.0 110.072 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.533 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.5 tp60 -61.4 -50.2 84.17 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.036 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.0 Cg_endo -52.39 -39.58 73.11 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.34 2.027 . . . . 0.0 112.55 177.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.3 t80 -58.11 -50.37 73.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 112' ' ' VAL . 63.7 mt -64.1 -37.25 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.879 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 68.2 m-20 -65.18 -33.07 75.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.427 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.25 -44.04 54.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.5 mm -63.51 -39.6 85.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.555 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.9 p -61.63 -22.67 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.012 0.434 . . . . 0.0 111.286 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 126' ' ' MET . 61.0 mt-30 -81.06 -53.28 6.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.0 mt -53.03 -51.71 60.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.71 -44.51 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 0.0 110.691 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 m -69.43 -29.68 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 33.2 mmt -75.04 -47.78 27.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.715 0.293 . . . . 0.0 110.96 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -70.62 -29.75 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -62.13 -43.06 99.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.811 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -81.69 -38.72 25.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.347 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 69.34 -37.08 0.36 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.544 0.738 . . . . 0.0 112.847 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 127.46 4.65 5.75 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 12.7 ptp -121.82 143.62 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -144.48 85.06 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.642 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 59.67 16.17 5.25 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.86 108.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.4 m 62.78 27.34 16.02 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.596 -177.316 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 p -151.54 -179.48 7.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.87 86.27 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.335 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -118.03 -36.64 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.389 . . . . 0.0 111.058 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -77.28 118.07 19.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.541 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -97.03 41.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 109.902 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -80.82 155.29 26.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.588 -172.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.25 142.57 94.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.84 175.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.87 -23.81 73.79 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.789 2.326 . . . . 0.0 113.036 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.4 m95 -84.56 4.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.503 -173.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -65.42 -26.9 68.18 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -135.06 134.12 21.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.16 -36.71 93.78 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.484 2.123 . . . . 0.0 111.984 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.41 93.24 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.231 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.57 -41.5 72.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.82 92.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.758 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.68 -49.13 78.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.417 ' HB3' HG22 ' A' ' 108' ' ' THR . 9.1 m-80 -63.03 -49.62 73.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.096 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -55.14 -54.98 36.3 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.862 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 8.7 mmt -57.11 -44.45 83.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.038 -177.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -66.43 -49.9 65.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.047 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 m -62.7 -30.41 71.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.236 0.541 . . . . 0.0 110.613 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -69.22 -55.89 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.559 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -63.97 -39.27 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.68 -19.68 61.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.028 0.442 . . . . 0.0 111.588 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -90.64 -39.87 5.79 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 27' ' ' LEU . 7.8 mt -65.09 -34.11 77.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.892 -0.654 . . . . 0.0 111.93 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.12 -8.46 31.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.212 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -107.23 -5.11 18.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.521 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 55.3 mtt -97.22 145.22 29.25 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-O 120.667 0.27 . . . . 0.0 110.993 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.43 149.5 87.93 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.062 2.508 . . . . 0.0 112.863 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.62 -28.86 10.1 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.516 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE2' HD22 ' A' ' 27' ' ' LEU . 67.8 m-85 -101.29 136.56 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.449 0.642 . . . . 0.0 111.641 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -102.14 161.18 13.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.69 63.39 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 118.152 0.433 . . . . 0.0 112.152 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -59.69 -40.48 88.02 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.957 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 15.8 mp0 -65.57 -46.85 77.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.92 -23.81 64.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.666 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.23 -46.64 85.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 110.233 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD2' HD11 ' A' ' 80' ' ' ILE . 23.2 t70 -72.26 -43.12 64.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.15 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 mtt -58.16 -36.38 72.93 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 90.2 m -62.28 -45.34 93.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.385 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 48' ' ' MET . 73.5 mt -59.08 -47.42 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.17 -51.61 56.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.11 -57.75 11.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.344 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -35.19 79.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.691 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -66.15 -48.02 72.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 97.3 t -59.39 -45.53 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.56 -37.64 70.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -63.45 -41.71 98.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.621 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.81 -30.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.368 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 30.8 mt-30 -60.92 -49.61 76.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.316 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -65.31 -37.83 88.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.083 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.4 -52.98 62.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.1 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.99 -19.88 60.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.76 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.06 76.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 111.027 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -82.58 -16.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.504 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 35.11 78.98 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.499 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.49 114.85 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -141.66 150.11 41.49 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.437 ' OG ' ' HG2' ' A' ' 65' ' ' LYS . 58.4 p -130.02 159.63 69.2 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.69 -31.42 79.72 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.75 -33.68 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.038 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.5 mmmt -63.48 -42.49 98.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.1 mm? -66.21 -24.37 66.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.511 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 71' ' ' MET . 29.1 mm-40 -83.27 -35.8 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.651 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.62 -41.49 72.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.05 0.452 . . . . 0.0 110.236 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 90.4 mt -61.93 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.222 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -23.61 59.87 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 35.9 mtm -84.27 -28.28 27.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.15 0.5 . . . . 0.0 110.001 176.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.4 55.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.715 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.7 p90 -74.16 -21.33 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 110.293 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.2 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.446 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 t -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.43 -43.6 76.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.972 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.2 mtm -68.6 -24.42 64.58 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.68 -0.237 . . . . 0.0 111.308 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.74 81.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.916 0.389 . . . . 0.0 111.294 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -77.45 -11.42 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.494 HD11 ' OD2' ' A' ' 40' ' ' ASP . 62.1 mt -86.94 -39.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 109.401 174.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -62.49 -28.59 69.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.088 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.33 12.02 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -95.63 116.58 29.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 176.846 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.38 26.76 4.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.543 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.401 ' HB2' HE22 ' A' ' 37' ' ' GLN . 1.1 mp0 -66.84 143.06 57.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.873 174.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.39 -63.08 3.7 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.994 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.39 177.44 33.49 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.05 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.41 146.34 7.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.637 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -84.72 -174.73 5.44 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.99 -35.12 79.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 110.349 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -60.82 -32.07 71.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -37.3 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.319 0.581 . . . . 0.0 110.028 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.3 mptt -71.39 -52.19 19.99 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -60.77 -41.69 95.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -62.0 -36.41 81.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.521 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 40.4 m -71.95 -43.98 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.302 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.7 -44.88 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -57.61 -47.36 82.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.373 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -72.38 -38.87 68.38 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.044 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.1 80.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 36.0 mtm -69.48 -35.76 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.486 ' O ' HG21 ' A' ' 112' ' ' VAL . 22.6 t -60.02 -42.5 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.229 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -77.34 -33.28 55.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.356 178.097 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.61 81.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -3.2 54.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.21 0.528 . . . . 0.0 111.069 -174.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 mt -84.1 -15.26 47.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.094 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -92.82 -3.54 54.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.645 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 18' ' ' ASN . 37.0 p -104.47 -73.27 0.68 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 111.966 -176.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.0 t -109.57 -20.46 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.22 0.533 . . . . 0.0 110.128 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.15 6.62 53.51 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.669 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.43 138.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 102' ' ' SER . 2.4 t -119.13 153.01 21.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.529 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 59.3 t30 -95.69 107.28 19.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.216 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.464 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -64.97 -47.64 73.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.8 Cg_exo -51.47 -39.92 63.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.033 1.822 . . . . 0.0 112.016 175.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.6 t80 -56.37 -53.55 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 112' ' ' VAL . 62.6 mt -61.14 -38.84 80.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -64.52 -52.12 59.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 12.2 tp10 -60.54 -36.96 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 116' ' ' PHE . 24.5 mm -63.19 -48.34 88.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.128 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 98' ' ' ALA . 39.9 p -62.13 -29.44 70.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.185 0.516 . . . . 0.0 110.468 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -65.99 -58.12 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.879 175.848 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -54.82 -51.21 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.817 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.4 t -55.62 -45.65 79.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.655 0.264 . . . . 0.0 111.306 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 m -67.07 -34.22 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.935 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.409 ' HA ' ' CE ' ' A' ' 126' ' ' MET . 0.0 OUTLIER -78.41 -48.39 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 -177.342 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.39 -39.62 93.83 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.327 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.71 82.27 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.904 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -111.66 1.45 16.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.246 0.546 . . . . 0.0 110.477 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -88.67 57.3 4.13 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.902 -176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 61.5 mtm -86.64 41.64 0.96 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -80.99 79.23 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.483 0.659 . . . . 0.0 110.462 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -115.73 81.85 1.66 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.243 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.4 p -103.16 6.71 10.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.067 0.937 . . . . 0.0 109.396 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -89.76 -1.8 58.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.467 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.651 -0.69 . . . . 0.0 110.243 177.596 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.844 -0.503 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -78.87 105.75 10.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.97 149.04 43.9 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.544 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -129.98 14.01 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.744 0.783 . . . . 0.0 109.761 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -149.59 164.34 35.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.12 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -60.58 118.78 6.96 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 m -72.99 125.4 27.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 0.0 111.506 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -116.69 144.82 34.05 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.053 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD2' HG22 ' A' ' 8' ' ' THR . 29.7 Cg_exo -63.26 -4.15 6.09 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 122.82 2.346 . . . . 0.0 114.189 -173.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HB2' HD13 ' A' ' 66' ' ' LEU . 4.6 m95 -97.1 12.67 31.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 110.459 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 p -63.29 -21.15 66.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 111.635 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -154.15 129.45 5.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.4 -38.37 52.89 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.157 2.571 . . . . 0.0 112.88 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -41.62 94.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.927 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 15' ' ' LEU . 20.5 mt -67.87 -40.32 83.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.004 -0.115 . . . . 0.0 110.879 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.49 90.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 110.759 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.34 -48.74 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.49 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -62.67 -40.92 98.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.243 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.24 -53.65 55.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.789 176.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.22 -43.33 92.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.529 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 2.7 m-20 -62.52 -45.98 90.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.44 179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 m -68.61 -32.11 71.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.0 110.566 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.63 -55.3 21.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.769 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 ptm -61.3 -39.6 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 14.6 mm100 -70.04 -43.95 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.736 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -70.15 -34.41 69.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.662 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -68.42 -12.73 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.334 0.588 . . . . 0.0 110.2 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -96.83 -1.8 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.383 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 42.8 mtt -103.52 154.96 37.48 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 122.267 -0.271 . . . . 0.0 110.89 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.25 155.85 33.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.6 2.2 . . . . 0.0 112.404 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.55 -35.27 4.82 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -102.56 148.04 26.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.225 0.536 . . . . 0.0 111.611 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.74 170.2 9.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.21 176.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.12 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -61.0 -25.01 66.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.562 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -97.06 -41.3 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.32 0.581 . . . . 0.0 110.512 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' MET . 93.6 mt -67.09 -21.3 65.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.011 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.51 -37.56 78.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.635 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.63 -37.39 25.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.01 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.437 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 18.4 mmt -54.7 -43.99 73.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -33.37 74.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.302 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.2 m -69.87 -45.55 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.7 -47.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.443 . . . . 0.0 110.016 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.23 77.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.83 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' THR . 7.4 pt20 -82.73 -37.55 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.705 0.288 . . . . 0.0 111.296 -175.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -85.68 -38.15 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.2 -46.93 88.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.75 0.31 . . . . 0.0 110.534 -175.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.2 t -56.56 -33.35 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.52 -33.36 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.835 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.0 p -63.83 -40.83 97.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.093 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.4 mt -75.05 -31.88 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.366 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -60.09 -47.83 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -74.36 -32.4 62.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.7 -48.34 81.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.357 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.66 -8.22 56.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.28 -43.83 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.868 0.366 . . . . 0.0 111.231 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -90.44 -52.82 4.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.029 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -107.41 -131.47 6.64 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.451 -176.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.51 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.3 tmm_? -150.55 138.49 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.51 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 9.2 m -86.86 95.23 9.8 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.204 0.526 . . . . 0.0 110.639 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -77.57 156.52 80.72 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.256 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HA ' HD23 ' A' ' 66' ' ' LEU . 11.9 Cg_endo -55.51 -24.2 43.15 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.135 2.557 . . . . 0.0 112.669 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -70.85 -29.49 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.78 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -66.37 -37.5 85.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.226 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.61 -33.68 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -95.89 4.09 53.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.43 -40.25 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.156 174.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 96.3 mt -71.18 -26.87 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.489 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -69.66 -26.35 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtm -86.06 -27.45 24.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -57.0 14.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.752 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.6 p90 -70.24 -29.3 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.376 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.02 83.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.528 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -63.76 -28.76 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -80.13 -45.34 18.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.01 0.433 . . . . 0.0 110.211 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 46.1 mtm -67.41 -25.32 65.87 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.455 ' HA ' HG13 ' A' ' 124' ' ' VAL . . . -54.41 -45.55 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.524 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.87 -34.28 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.9 mt -71.13 -40.15 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.486 0.66 . . . . 0.0 110.097 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.97 -38.81 92.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.523 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -83.47 4.31 28.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 111.461 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 t -83.49 102.7 12.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -77.91 99.67 6.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.072 0.939 . . . . 0.0 110.394 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.6 OUTLIER -118.11 -173.36 2.44 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.419 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . -70.47 71.78 0.64 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.271 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.67 -38.63 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 121.298 -0.477 . . . . 0.0 111.995 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.53 175.75 21.36 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.964 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.619 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 13.2 p -82.11 -179.01 7.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.714 0.406 . . . . 0.0 110.764 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.6 OUTLIER -59.69 -25.08 64.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.769 0.427 . . . . 0.0 111.291 -174.779 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 m -53.12 -52.01 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.855 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.8 m -73.47 -32.49 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.699 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 89' ' ' SER . 9.9 mmmm -59.58 -50.01 75.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.533 -173.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.431 HG23 ' CD2' ' A' ' 90' ' ' LEU . 21.9 p -66.57 -37.4 84.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -61.58 -45.49 93.9 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.631 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 p -65.72 -39.95 91.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 101' ' ' MET . 82.0 mt -60.18 -45.69 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.999 0.428 . . . . 0.0 110.441 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.414 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.14 -50.36 73.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m -68.28 -38.04 81.29 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.217 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 32.2 mtm -65.51 -42.94 91.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.808 0.337 . . . . 0.0 110.46 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -57.8 -54.21 49.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.09 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.6 t30 -60.53 -37.12 80.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.188 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.68 68.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.779 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.472 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.1 OUTLIER -74.74 -21.84 59.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.032 -174.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.82 -27.86 65.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.364 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 83.9 mm-40 -84.73 -23.59 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.018 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.472 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 37.2 p -89.95 -59.17 2.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.4 t -115.19 -23.99 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.092 0.472 . . . . 0.0 110.916 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.64 -19.91 40.65 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.042 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 109' ' ' THR . 33.6 t -126.68 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.527 HG11 HD11 ' A' ' 117' ' ' ILE . 1.4 t -106.7 -143.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.529 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 36.8 t30 -158.99 105.24 1.75 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 20.8 tp60 -64.44 -49.16 73.02 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.978 -171.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.529 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 43.3 Cg_exo -58.51 -21.48 54.6 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.841 1.694 . . . . 0.0 112.633 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.421 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 35.7 t80 -74.38 -52.43 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 110.416 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.527 HD11 HG11 ' A' ' 112' ' ' VAL . 63.0 mt -61.45 -39.67 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.341 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.776 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 33.1 tt0 -83.14 -42.01 17.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' VAL . 30.7 mm -65.27 -44.45 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.003 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 13.2 p -57.59 -34.54 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.127 0.489 . . . . 0.0 110.789 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 126' ' ' MET . 48.8 mt-30 -71.81 -45.53 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.419 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 99.3 mt -57.66 -49.89 75.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG13 ' HA ' ' A' ' 78' ' ' ALA . 96.2 t -57.44 -50.67 76.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.8 m -64.98 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.131 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -73.95 -55.64 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.692 -177.406 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -62.65 -33.76 75.71 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -63.44 -52.08 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 111.397 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -77.93 -23.87 48.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.556 -175.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.6 16.46 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -77.27 52.16 3.35 Favored Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.59 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.3 ptp -117.95 -6.55 10.97 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.355 0.598 . . . . 0.0 109.515 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -170.92 146.83 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.817 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -79.6 70.29 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.33 0.586 . . . . 0.0 109.791 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.3 t -83.8 106.55 14.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.438 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.3 m 57.74 77.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.45 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.099 177.63 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -64.26 117.19 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.726 0.298 . . . . 0.0 110.777 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.84 170.9 44.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.047 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -128.99 15.86 6.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.231 0.538 . . . . 0.0 109.81 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -62.44 140.75 58.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.795 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -92.52 105.49 17.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -65.18 131.53 46.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.752 -173.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.36 136.98 27.82 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.156 168.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.32 -15.21 48.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.54 2.16 . . . . 0.0 112.962 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.407 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.9 m95 -98.82 5.62 47.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.123 -175.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.17 -16.3 60.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.054 0.454 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -146.12 124.47 6.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.84 -40.34 85.65 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.044 2.496 . . . . 0.0 112.751 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.31 89.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.682 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.97 -48.96 66.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.43 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.16 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.41 -46.39 88.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.439 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.426 ' HB3' HG22 ' A' ' 108' ' ' THR . 10.0 m-80 -64.32 -41.46 96.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.048 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.1 -55.41 25.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.502 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.7 mtp -68.87 -31.9 71.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.488 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -69.16 -44.47 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.205 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 m -66.84 -37.2 84.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.102 0.477 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.25 -50.35 73.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.235 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.6 ttm -56.4 -55.22 36.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.838 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 13.8 mm-40 -65.03 -40.71 95.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.547 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.91 -37.62 83.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.157 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.65 -33.89 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.96 0.409 . . . . 0.0 110.794 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 t -66.01 -18.71 65.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -95.12 -1.23 52.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.2 mtt -100.3 153.06 37.96 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.601 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.26 159.03 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.622 2.215 . . . . 0.0 112.382 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 87' ' ' GLY . . . 106.74 -35.48 5.01 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.816 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -103.49 146.36 28.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.412 0.625 . . . . 0.0 111.906 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.532 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 1.9 m -111.16 162.73 14.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.179 177.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.23 56.6 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB2' ' OE2' ' A' ' 85' ' ' GLU . 15.3 m -58.39 -45.75 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.496 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.57 ' NE2' ' HG3' ' A' ' 85' ' ' GLU . 41.8 mt-30 -65.66 -45.83 81.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.422 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -64.43 -28.76 69.89 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.998 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.93 -46.17 85.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.992 0.425 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.01 -33.54 61.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.115 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.89 -38.74 70.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 170.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -36.52 84.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.138 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.699 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.7 m -66.58 -45.23 79.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 176.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.48 -40.49 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.109 0.48 . . . . 0.0 110.155 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -12.17 61.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.262 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.1 pt20 -100.57 -45.93 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.512 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -70.62 -40.55 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -63.07 -49.02 76.15 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.435 . . . . 0.0 109.966 -176.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.97 -47.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.68 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 98.3 mt-30 -57.56 -33.18 67.86 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.291 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -63.99 -45.26 89.84 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.06 -29.76 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 110.543 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.94 -37.11 78.56 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.17 0.51 . . . . 0.0 110.363 175.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.0 m -83.17 -35.47 25.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.46 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.41 -59.09 5.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.58 -11.1 60.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.38 -36.61 16.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.258 0.551 . . . . 0.0 110.562 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -87.3 -39.14 15.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.645 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.76 -142.95 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.591 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.5 tmm_? -128.67 146.32 50.91 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.591 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 2.9 m -80.15 87.32 5.5 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.212 0.529 . . . . 0.0 110.515 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 17.9 m -71.76 160.54 82.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.575 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 5.2 Cg_endo -47.48 -38.15 27.12 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.522 2.815 . . . . 0.0 113.542 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -60.94 -34.04 74.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.7 mmmt -66.24 -45.02 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.7 mm? -57.83 -37.76 74.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.967 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -76.56 -36.82 57.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.721 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 110.505 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 95.0 mt -69.45 -32.88 72.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.845 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -70.56 -25.51 63.12 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.053 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.7 mtm -86.14 -35.69 20.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.96 -56.97 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.712 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -69.88 -29.75 67.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.411 -176.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.31 89.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -67.07 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -68.4 -46.36 70.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.338 . . . . 0.0 110.385 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -69.43 -24.98 63.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.96 83.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.976 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.98 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.91 -38.66 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.432 0.634 . . . . 0.0 110.338 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -67.49 -22.23 65.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.486 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.9 13.59 20.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.01 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.419 ' OG ' ' HG2' ' A' ' 85' ' ' GLU . 10.0 t -80.0 131.52 35.82 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -92.01 12.42 21.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.087 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.57 ' HG3' ' NE2' ' A' ' 37' ' ' GLN . 5.9 pt-20 -90.75 145.9 24.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.66 -158.56 24.34 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.396 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.518 ' O ' ' HA2' ' A' ' 32' ' ' GLY . . . -107.48 163.48 13.11 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.991 -176.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.85 -177.71 52.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.863 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 28.0 t -115.2 -166.82 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -33.28 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -59.52 -40.81 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.318 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 m -65.59 -39.12 91.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.088 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.4 mmtm -60.77 -53.23 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.625 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.0 p -65.45 -37.35 86.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.977 -175.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.0 m -60.11 -42.72 95.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.303 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.4 m -68.9 -44.76 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.2 mt -55.16 -47.08 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.998 0.428 . . . . 0.0 111.05 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -59.73 -40.72 88.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.462 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 m -76.97 -38.9 52.35 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.22 89.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.612 ' HE3' HG12 ' A' ' 117' ' ' ILE . 33.1 mtm -66.88 -39.3 87.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.13 177.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 112' ' ' VAL . 14.7 t -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.245 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.526 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -66.59 -39.49 88.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.48 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.512 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 25.3 m-85 -64.15 -38.46 91.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.695 0.283 . . . . 0.0 111.307 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.45 -29.28 69.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 0.0 110.628 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 69.8 mm-40 -83.99 -21.36 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.16 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 18' ' ' ASN . 10.0 p -100.05 -61.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -174.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.3 t -114.37 -9.26 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.981 0.419 . . . . 0.0 110.631 -175.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.39 84.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.024 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -136.89 137.48 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 102' ' ' SER . 58.9 t -87.64 125.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 117' ' ' ILE . 56.9 t30 -90.71 91.36 8.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.477 0.656 . . . . 0.0 109.997 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.49 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -60.89 -53.09 67.42 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.922 -170.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.85 -33.97 73.64 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.323 2.015 . . . . 0.0 112.426 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.0 t80 -64.38 -48.07 76.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.472 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.612 HG12 ' HE3' ' A' ' 101' ' ' MET . 49.7 mt -69.52 -31.21 48.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.229 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.36 -36.11 76.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.325 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.0 tp10 -72.13 -47.47 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.192 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -58.23 -43.43 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.567 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.4 p -62.08 -26.16 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.621 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -84.93 -37.65 20.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 88.6 mt -62.19 -51.19 68.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.379 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 120' ' ' ILE . 91.0 t -56.79 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.439 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 p -67.9 -42.64 80.86 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.043 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 30.2 mmt -67.74 -44.99 76.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.655 0.264 . . . . 0.0 111.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -69.91 -15.98 63.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.202 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.82 72.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -85.01 -37.66 20.13 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.73 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -81.16 56.23 4.84 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.832 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.8 ptp -93.51 -13.3 27.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -143.13 88.39 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.325 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -179.28 107.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.475 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.92 -56.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.161 0.505 . . . . 0.0 110.556 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t -156.95 83.51 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.375 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.057 -176.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.979 0 N-CA-C 112.211 -0.356 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -59.24 -38.23 79.52 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.277 0.56 . . . . 0.0 110.685 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.78 171.58 39.04 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -72.8 -44.63 61.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.044 0.449 . . . . 0.0 110.149 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -94.11 88.24 5.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.088 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -131.63 122.01 25.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -148.04 -165.4 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.739 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.99 142.83 25.37 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.64 -16.85 51.0 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 113.13 -176.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -90.17 5.35 47.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.074 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -77.23 -14.88 59.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.147 0.498 . . . . 0.0 110.878 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -152.19 128.13 5.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.44 -38.61 53.87 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.306 2.671 . . . . 0.0 112.122 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.79 -36.27 93.1 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.097 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 mt -76.08 -38.87 56.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.42 0.152 . . . . 0.0 110.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.13 38.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.303 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.42 -38.46 89.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 110.704 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.588 ' HB3' HG22 ' A' ' 108' ' ' THR . 1.5 m-80 -66.74 -49.67 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.138 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.49 -51.26 70.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.235 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -59.43 -43.94 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.7 m-80 -65.94 -45.36 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -62.95 -42.85 99.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.986 0.422 . . . . 0.0 110.432 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.69 -53.69 54.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.364 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 ttm -53.3 -50.53 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.655 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 30.4 mm-40 -61.64 -48.35 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.7 -40.05 85.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.235 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.2 tm? -65.4 -35.78 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.009 0.433 . . . . 0.0 109.872 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -63.6 -19.98 65.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.794 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -91.73 -7.49 49.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.011 0.434 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.464 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 59.2 mtt -96.19 145.75 30.11 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.54 -179.81 4.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.012 2.474 . . . . 0.0 113.655 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 87' ' ' GLY . . . 95.89 -19.0 56.38 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.864 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -101.83 173.64 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.172 0.511 . . . . 0.0 111.107 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.555 ' HB ' ' OG ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -110.04 157.19 19.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 174.231 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.82 -29.59 62.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.555 ' OG ' ' HB ' ' A' ' 34' ' ' THR . 1.8 p -64.04 -38.56 91.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.673 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.548 ' HG2' ' H ' ' A' ' 34' ' ' THR . 45.1 mm-40 -65.75 -44.11 86.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.296 0.569 . . . . 0.0 111.057 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -68.17 -22.01 64.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.769 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.47 -44.97 77.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' OD2' HD11 ' A' ' 80' ' ' ILE . 19.2 t70 -71.78 -38.88 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.532 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.7 mtt -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -62.74 -39.03 92.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.049 0.452 . . . . 0.0 110.045 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.3 m -67.59 -40.99 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.735 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.52 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.13 -13.52 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.542 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -100.53 -55.26 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.788 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.591 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 8.6 t -69.25 -37.65 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.824 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -64.5 -42.14 96.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.325 0.583 . . . . 0.0 109.836 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 89.5 t -68.55 -46.94 79.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.366 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 47' ' ' SER . 4.8 pp0? -58.43 -33.25 69.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -61.36 -44.06 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.984 176.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -72.64 -36.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 11.5 mm100 -57.59 -43.48 84.67 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.159 0.504 . . . . 0.0 110.283 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 m -77.08 -36.16 56.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.797 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.25 -53.72 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.109 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.64 -22.98 63.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.6 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.44 85.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -83.45 -8.2 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.65 33.06 48.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.602 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 61' ' ' THR . 1.9 tmt_? -139.32 128.8 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.434 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 25.6 m -149.0 -72.17 0.19 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.485 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m 72.61 152.95 0.15 Allowed Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 123.132 0.573 . . . . 0.0 110.97 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -57.04 -21.88 44.24 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.151 2.567 . . . . 0.0 113.708 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -57.18 -38.95 74.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.814 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -70.62 -34.66 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.689 -176.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.57 -35.45 80.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 110.247 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -78.34 -37.26 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.56 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.67 -47.71 65.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.964 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.6 -27.84 68.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.828 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.69 -33.7 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.9 mtm -99.22 -7.99 25.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.096 0.474 . . . . 0.0 110.706 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.45 -61.74 1.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.506 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -66.31 -25.54 66.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 0.0 110.732 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.75 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -74.7 -42.09 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -63.22 -43.45 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.417 0.627 . . . . 0.0 110.415 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mtp -70.57 -30.21 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.404 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.91 -49.4 63.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.464 0.477 . . . . 0.0 111.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -65.78 -30.68 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.214 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.498 HD11 ' OD2' ' A' ' 40' ' ' ASP . 68.8 mt -71.81 -44.28 68.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.42 0.628 . . . . 0.0 110.379 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.79 -26.97 65.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.163 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -103.22 19.25 19.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.957 0.408 . . . . 0.0 111.023 178.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m -72.12 116.83 13.0 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 121.244 0.545 . . . . 0.0 111.246 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.34 20.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.901 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -54.54 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.91 141.93 7.25 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.689 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 32' ' ' GLY . . . 100.82 6.17 52.71 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.387 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.85 -138.74 42.32 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.442 -0.408 . . . . 0.0 113.767 176.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.2 p -78.55 -162.29 0.35 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.082 0.553 . . . . 0.0 112.106 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.47 ' HB3' HG23 ' A' ' 94' ' ' THR . 1.0 OUTLIER -85.02 -0.53 54.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.523 -174.776 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -50.6 -65.96 0.47 Allowed 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.482 0.489 . . . . 0.0 111.657 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -73.43 -25.52 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.053 0.454 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 30.5 mmtm -63.48 -64.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.289 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 90' ' ' LEU . 31.3 p -63.5 -34.25 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.325 -171.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -63.74 -34.28 77.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.177 0.513 . . . . 0.0 111.33 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.464 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 39.1 m -78.11 -47.27 18.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.1 mt -48.73 -46.26 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.04 -54.39 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.447 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 m -66.39 -36.41 82.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.939 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.33 79.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.088 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.415 ' HE3' HG12 ' A' ' 117' ' ' ILE . 34.4 mtm -71.3 -38.9 71.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.332 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.9 m -56.0 -49.73 72.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -67.82 -37.89 82.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.33 97.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -29.29 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.655 0.264 . . . . 0.0 111.175 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.99 -34.93 77.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.0 110.641 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.17 4.63 47.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.797 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 18' ' ' ASN . 23.0 p -121.29 -59.36 1.72 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.808 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -109.18 -30.11 8.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.022 0.439 . . . . 0.0 110.082 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.46 35.27 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.719 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -123.54 129.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 117' ' ' ILE . 10.6 t -91.17 146.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.616 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 64.1 t30 -104.06 98.51 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.547 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.2 tp60 -64.74 -48.02 74.05 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.81 -36.99 84.46 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.408 2.072 . . . . 0.0 112.391 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.515 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.2 t80 -57.87 -53.66 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.423 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 112' ' ' VAL . 59.0 mt -63.92 -38.97 83.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.16 -177.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 96.5 m-20 -69.17 -26.03 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.245 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.69 -39.57 20.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -60.99 -43.1 95.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -59.98 -28.3 67.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.962 0.411 . . . . 0.0 111.06 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 52.0 mt-30 -72.21 -56.56 5.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.75 -50.1 69.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.866 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.73 -37.28 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.527 ' HB2' ' HE3' ' A' ' 126' ' ' MET . 16.4 m -78.5 -37.23 43.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.921 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.527 ' HE3' ' HB2' ' A' ' 125' ' ' SER . 0.0 OUTLIER -71.98 -39.31 69.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -177.703 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -74.6 -23.16 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.64 0.257 . . . . 0.0 111.056 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -61.24 -56.41 20.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.44 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.51 -26.72 66.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.268 0.556 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.47 14.25 10.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.289 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.48 54.62 4.36 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.368 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 21.2 ptp -108.85 11.46 26.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -157.26 130.76 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.386 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -87.06 10.94 15.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -76.21 117.68 21.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.0 m 71.99 26.64 2.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.91 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.639 174.22 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -82.6 114.89 21.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 111.17 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.78 54.04 0.62 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.47 43.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.833 0.453 . . . . 0.0 112.176 -170.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -151.05 -74.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.117 0.484 . . . . 0.0 110.659 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -153.33 117.14 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.13 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -68.72 103.57 1.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.536 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -81.82 150.25 65.38 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.223 175.451 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 24.1 Cg_exo -64.11 -9.19 18.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.739 2.292 . . . . 0.0 112.89 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.2 m95 -87.88 -0.92 57.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -65.69 -31.38 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.492 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -131.8 123.33 19.1 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.648 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.68 -38.11 65.55 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.255 2.636 . . . . 0.0 112.919 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.28 -36.04 60.02 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.744 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -68.72 -40.54 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.3 94.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.226 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.84 -54.17 45.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.507 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.498 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.7 m-20 -60.17 -34.1 73.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.666 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.04 -50.94 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.69 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -60.36 -55.43 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -61.49 -29.93 70.29 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -65.08 -58.4 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.801 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -66.47 -33.81 76.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -65.15 -46.35 81.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.4 . . . . 0.0 110.583 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -71.0 -41.17 61.59 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.18 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' HD13 ' A' ' 38' ' ' LEU . 48.3 t -64.07 -16.16 61.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -103.87 1.62 31.65 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.428 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.2 mtt -99.19 147.82 33.79 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.556 0.217 . . . . 0.0 110.865 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.9 152.7 47.02 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.463 2.108 . . . . 0.0 112.469 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.55 -30.61 4.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -104.61 -178.08 3.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.314 0.578 . . . . 0.0 111.434 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 156.01 48.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.37 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -59.11 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.1 mp0 -73.06 -35.24 66.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 111.383 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 28' ' ' SER . 88.3 mt -67.6 -29.29 68.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.65 -41.33 98.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.199 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 80' ' ' ILE . 18.9 t70 -68.63 -43.09 77.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.239 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.4 mtt -59.7 -35.4 74.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.249 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -62.11 -28.02 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.221 0.534 . . . . 0.0 109.973 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.702 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.3 m -81.27 -41.14 22.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.645 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -34.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.315 0.579 . . . . 0.0 109.815 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.05 -14.8 61.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.848 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.702 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.2 pt20 -105.84 -44.33 4.66 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.749 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -68.07 -41.63 81.68 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.73 0.3 . . . . 0.0 111.695 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.1 tpt -63.39 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 110.45 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.8 t -64.02 -47.32 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 56.3 mt-30 -60.15 -35.73 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.655 0.264 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 m -60.95 -45.51 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.982 0.42 . . . . 0.0 110.129 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.27 -35.06 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.5 mm-40 -56.72 -26.82 57.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 176.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 m -97.63 -44.19 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.28 -51.9 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.591 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.27 -1.48 26.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.97 -66.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.469 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.31 9.93 18.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.9 -154.1 10.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.159 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.1 118.03 19.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 m -101.55 -85.51 0.43 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.788 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 p 63.71 160.06 0.12 Allowed Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.751 -172.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.76 -33.8 33.68 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.368 2.712 . . . . 0.0 114.568 -173.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -59.86 -41.23 91.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.16 -19.8 63.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.445 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.3 mm? -69.56 -26.97 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.564 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . 6.6 mm-40 -81.76 -26.11 34.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.483 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.33 -35.76 35.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.002 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.55 -42.03 83.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.564 ' OD1' ' HA ' ' A' ' 67' ' ' GLN . 1.1 p-10 -74.89 -18.73 60.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.49 -173.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -94.32 -17.43 22.62 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.655 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.66 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -65.71 -23.61 66.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.29 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.574 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -35.03 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 5.1 m -70.42 -42.98 70.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.655 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.25 -24.09 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.798 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.79 -46.63 77.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.25 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 76' ' ' SER . 11.6 pt-20 -71.81 -17.01 62.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 66.6 mt -86.12 -41.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.155 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -72.57 -25.63 61.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.187 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.67 13.26 3.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 111.274 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.6 t -78.58 138.49 38.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.818 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.21 -15.11 61.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.98 141.82 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.155 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.18 1.3 89.93 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.7 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 125.46 136.96 4.62 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.52 61.35 4.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.39 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 p -165.21 158.99 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.64 0.257 . . . . 0.0 110.907 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD23 ' HB1' ' A' ' 81' ' ' ALA . 5.1 mt -85.19 -12.93 51.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 175.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -53.44 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -172.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.45 -33.01 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 9.6 mptt -65.18 -61.18 2.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.158 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -58.78 -35.31 72.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 t -68.23 -36.24 79.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.372 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -78.87 -40.86 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.191 -0.318 . . . . 0.0 110.617 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.1 mt -53.78 -46.25 62.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 110.376 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.8 72.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.748 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -75.99 -34.27 59.74 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -174.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.6 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.653 ' HE3' HG12 ' A' ' 117' ' ' ILE . 32.6 mtm -67.86 -42.08 81.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.473 177.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m -56.57 -47.39 79.61 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.245 0.545 . . . . 0.0 110.237 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.1 t30 -61.34 -44.67 96.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.784 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.56 98.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.614 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.2 59.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.715 -177.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.73 -24.16 49.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 85.1 mm-40 -82.09 -25.32 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.002 0.429 . . . . 0.0 110.679 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 18' ' ' ASN . 11.1 p -89.37 -61.59 1.67 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 t -120.67 -6.04 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 -176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.41 80.8 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.07 141.98 44.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.47 125.69 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.724 0.297 . . . . 0.0 110.779 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.505 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.2 t-20 -87.13 91.49 8.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.501 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.8 tp60 -60.25 -50.94 83.65 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.363 -174.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -53.62 -40.38 79.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 121.752 1.634 . . . . 0.0 112.382 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.2 t80 -58.92 -49.32 78.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.893 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.653 HG12 ' HE3' ' A' ' 101' ' ' MET . 48.7 mt -71.04 -32.23 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.961 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -71.89 -28.98 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.715 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 35.2 tt0 -79.88 -44.77 19.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.421 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -56.89 -52.47 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.4 p -57.7 -33.99 68.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.958 0.409 . . . . 0.0 111.568 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 126' ' ' MET . 34.5 tt0 -75.58 -44.54 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.2 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 86.2 mt -59.15 -51.05 71.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.023 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 120' ' ' ILE . 85.8 t -55.66 -41.39 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.623 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 44.7 m -65.81 -45.71 81.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 23.2 mmt -71.48 -41.26 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.651 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.86 -21.06 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.33 -30.25 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 125' ' ' SER . 26.5 mm-40 -76.66 -42.09 43.21 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -101.68 11.28 39.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.507 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.75 3.42 Favored Glycine 0 C--O 1.229 -0.214 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.486 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.8 ptp -108.07 -5.55 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.981 0.419 . . . . 0.0 110.568 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -165.6 163.11 19.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -80.23 57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.8 m -78.76 -35.59 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -115.61 10.98 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.343 0.592 . . . . 0.0 110.214 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.238 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -96.39 72.38 2.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.162 0.506 . . . . 0.0 110.444 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.69 44.49 0.19 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.916 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -70.67 -19.02 62.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.315 0.578 . . . . 0.0 110.089 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -164.47 -159.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.625 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -122.41 107.54 12.18 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 m -71.3 133.75 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.479 -168.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.67 151.54 42.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.4 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.63 -3.64 13.48 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.879 2.386 . . . . 0.0 114.165 -173.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.5 m95 -99.05 11.26 39.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.937 0.398 . . . . 0.0 110.619 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -71.68 -20.91 61.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.703 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -145.31 126.94 7.76 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.25 -35.31 41.49 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.644 2.229 . . . . 0.0 112.555 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.51 -34.22 63.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.307 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.23 -43.37 78.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.09 87.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.639 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.63 -49.51 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.477 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -60.26 -41.52 93.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.68 -49.07 74.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.745 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.433 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 mmt -58.86 -51.23 70.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.161 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.14 -49.79 76.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.121 -179.655 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -63.19 -32.59 74.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.075 0.464 . . . . 0.0 111.092 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -62.84 -52.43 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.109 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.694 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.3 mm-40 -56.93 -41.55 78.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.45 -39.77 21.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.27 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -33.02 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.133 0.492 . . . . 0.0 109.794 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.543 ' HA ' HD13 ' A' ' 38' ' ' LEU . 19.7 t -72.82 2.56 6.49 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.225 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -122.92 0.11 9.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.826 0.346 . . . . 0.0 110.448 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.3 mmt -87.92 144.0 34.14 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.17 171.26 18.44 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.513 2.142 . . . . 0.0 112.145 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.455 ' HA3' ' HB ' ' A' ' 92' ' ' THR . . . 93.68 -26.5 15.91 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.776 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -101.31 -177.56 3.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.598 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -141.22 164.35 30.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.3 -32.61 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.487 ' HB3' ' OE1' ' A' ' 85' ' ' GLU . 22.9 t -70.0 -49.19 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.582 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' NE2' ' HG3' ' A' ' 85' ' ' GLU . 42.6 mt-30 -52.44 -41.52 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 0.0 111.456 176.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 28' ' ' SER . 78.4 mt -68.82 -23.17 64.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.229 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.75 -40.73 79.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.43 . . . . 0.0 110.22 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.15 -39.22 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.099 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.0 mtt -59.86 -33.5 71.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.501 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -61.95 -31.63 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 109.834 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -74.87 -42.07 58.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.763 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.95 -42.93 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.957 0.408 . . . . 0.0 110.377 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -63.49 -10.62 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.714 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 25.6 tt0 -104.99 -58.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.051 0.453 . . . . 0.0 110.936 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 t -66.04 -34.84 79.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.039 -172.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.66 98.25 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.62 -43.75 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.837 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 10.6 mm100 -63.85 -29.66 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.237 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.9 -32.81 56.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.292 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.08 -55.83 29.66 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.369 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -61.8 -40.06 93.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.65 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.62 -57.08 14.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.385 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.77 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.542 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.53 -45.75 16.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -82.15 -28.75 31.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.732 -175.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.91 -140.68 3.1 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.309 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.605 ' HD2' ' N ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -123.17 162.95 21.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.354 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.605 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 3.1 m -85.54 -73.72 0.43 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -175.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' THR . 19.5 m 80.76 147.35 0.11 Allowed Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 123.331 0.652 . . . . 0.0 109.979 -170.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.42 -19.03 62.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.263 2.642 . . . . 0.0 114.097 -172.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.8 -38.65 91.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.803 0.335 . . . . 0.0 111.508 -177.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -65.81 -35.69 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.316 0.579 . . . . 0.0 110.381 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.417 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -94.2 10.7 32.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.454 0.645 . . . . 0.0 110.654 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.83 -47.34 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.919 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.67 -30.27 70.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.58 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -63.86 -34.24 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.7 mtm -85.32 -30.98 23.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.035 0.445 . . . . 0.0 109.859 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.38 -54.65 40.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.854 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -69.59 -28.04 65.62 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.174 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.87 87.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 m -65.61 -41.66 92.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.265 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.9 t -63.27 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.702 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 mtm -82.03 -23.9 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.944 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.73 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.036 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -29.15 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.753 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt -79.22 -45.62 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.84 -31.69 72.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.912 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -100.13 22.13 11.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.265 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.651 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 27.1 t -67.28 170.36 7.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 110.03 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.82 -23.98 59.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.501 -175.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.598 ' OE2' ' HB ' ' A' ' 34' ' ' THR . 8.0 pt-20 -94.84 173.09 7.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.077 0.465 . . . . 0.0 110.94 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.69 40.07 93.86 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -176.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.46 -27.56 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.124 -0.538 . . . . 0.0 112.398 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.651 ' HA2' ' O ' ' A' ' 83' ' ' SER . . . 86.06 -2.06 87.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.599 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.5 p -115.12 164.41 14.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.936 0.398 . . . . 0.0 111.534 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.411 HD23 ' HB1' ' A' ' 81' ' ' ALA . 16.9 mt -87.52 12.41 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.896 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -50.95 -40.84 58.44 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.455 ' HB ' ' HA3' ' A' ' 32' ' ' GLY . 9.0 m -118.93 -15.17 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.05 0.452 . . . . 0.0 111.133 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -53.39 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -169.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.414 HG21 ' OG ' ' A' ' 125' ' ' SER . 29.5 p -67.03 -35.72 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -63.47 -44.4 94.55 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 53.7 m -60.13 -44.8 94.63 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.739 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.73 -47.29 91.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.864 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.71 -55.72 30.5 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.184 -177.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 m -64.37 -39.29 93.59 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.389 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.17 88.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.26 -38.31 81.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.533 ' HA ' HG11 ' A' ' 112' ' ' VAL . 42.5 m -59.88 -46.35 89.59 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.085 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.4 t30 -70.0 -36.56 75.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.91 86.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.44 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -19.78 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.16 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 55.7 mt -74.21 -27.39 60.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.845 0.355 . . . . 0.0 110.496 174.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 66.5 mm-40 -85.04 -17.38 37.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.723 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.9 p -98.44 -59.82 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.4 t -113.65 -18.02 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.236 -176.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.17 8.29 63.16 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.011 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 109' ' ' THR . 7.8 p -147.48 145.28 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.533 HG11 ' HA ' ' A' ' 102' ' ' SER . 2.5 t -121.79 155.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.072 0.463 . . . . 0.0 111.534 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -97.32 97.02 8.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.494 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.8 tp60 -65.6 -49.02 63.68 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.54 -173.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 50.7 Cg_exo -55.27 -39.12 92.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 C-N-CA 121.787 1.658 . . . . 0.0 112.085 177.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.9 t80 -54.51 -51.97 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.793 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.504 HD11 ' CG1' ' A' ' 112' ' ' VAL . 62.0 mt -65.26 -42.67 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.44 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.45 -17.8 63.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 34.4 tt0 -88.81 -40.77 12.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.197 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.1 mm -58.62 -44.32 89.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 19.5 p -55.4 -36.75 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.059 0.457 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -81.88 -37.31 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.375 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 89.4 mt -56.76 -51.34 69.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.8 -41.73 83.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.414 ' OG ' HG21 ' A' ' 94' ' ' THR . 46.2 m -64.57 -47.79 77.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.557 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -25.23 40.9 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -77.62 -39.1 46.43 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.545 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -69.52 -33.9 73.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.033 0.444 . . . . 0.0 111.577 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -96.69 -57.41 2.3 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.416 -178.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 68.22 -52.49 0.54 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.892 0.745 . . . . 0.0 111.521 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.26 -62.01 0.49 Allowed Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -85.11 -51.8 6.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.426 177.124 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 132' ' ' MET . 16.0 t-20 173.91 136.66 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.676 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.39 18.11 3.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.478 0.656 . . . . 0.0 109.77 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.08 -35.33 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.362 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.5 m -100.96 76.53 1.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.467 -173.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.538 ' HB ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HD2' HG22 ' A' ' 8' ' ' THR . 23.8 Cg_exo -65.04 -4.25 8.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.798 2.332 . . . . 0.0 113.735 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.3 m95 -95.58 7.24 46.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.582 0.229 . . . . 0.0 110.829 -177.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.6 p -63.04 -36.04 82.25 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.018 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -126.92 130.86 23.71 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.365 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.447 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 20.1 Cg_endo -60.67 -33.99 92.63 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.505 2.136 . . . . 0.0 112.101 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.63 -35.89 44.98 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.079 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.06 -41.0 91.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 20' ' ' MET . . . -57.14 -44.72 83.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.86 -56.21 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.353 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -43.98 78.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.983 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.6 -53.08 57.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.492 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.549 ' CE ' ' HA ' ' A' ' 45' ' ' ALA . 53.6 mtp -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.165 -174.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.64 -54.5 45.73 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.737 0.303 . . . . 0.0 111.018 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 m -60.02 -34.79 73.84 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.097 0.475 . . . . 0.0 110.406 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.83 -58.5 8.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.045 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.52 -30.94 71.76 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.438 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.14 -50.97 43.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 0.0 110.978 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.8 -37.47 84.14 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.735 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.74 -30.93 71.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -61.87 -26.37 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -90.68 -6.16 54.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.1 mtt -93.02 152.17 41.17 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.398 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.0 178.52 6.78 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.624 2.216 . . . . 0.0 112.447 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.8 -39.44 3.11 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -100.15 155.52 17.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.12 0.486 . . . . 0.0 111.587 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.446 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -115.18 155.89 26.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.6 63.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 20.2 m -62.29 -30.45 71.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.446 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 19.4 mp0 -82.42 -36.76 26.35 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.2 mm? -64.4 -30.23 71.27 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.937 0.398 . . . . 0.0 109.945 175.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 36' ' ' SER . 13.5 t70 -56.71 -39.86 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.716 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.19 -38.56 31.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.1 mtt -60.15 -31.35 70.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.337 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 t -60.12 -41.93 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 92.8 m -67.21 -41.39 85.87 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.716 176.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.09 -41.8 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.0 109.918 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HA ' ' CE ' ' A' ' 20' ' ' MET . . . -61.28 -52.79 63.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.78 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.633 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.31 -33.75 76.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.098 -177.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -70.16 -51.8 28.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.886 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 85.5 mmm -60.57 -46.15 91.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.139 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 45' ' ' ALA . 85.9 t -58.19 -51.87 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.46 -35.6 79.81 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -60.32 -49.28 78.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.954 0.407 . . . . 0.0 110.234 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.27 -32.0 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' A' ' 13' ' ' PRO . 69.2 mm-40 -56.42 -53.94 51.51 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.849 0.356 . . . . 0.0 110.513 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 t -67.38 -38.32 84.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.749 -178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.289 -178.299 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 . . . . . 0 N--CA 1.46 0.045 0 CA-C-O 121.024 0.44 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.64 -37.56 79.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.542 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -64.3 -36.53 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.435 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.63 12.13 13.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.351 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -119.61 -45.29 2.51 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.195 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.68 -27.45 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -65.55 -34.44 78.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 18.4 ptp -91.32 -17.12 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.323 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -57.46 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -71.0 -21.16 62.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.028 0.442 . . . . 0.0 110.327 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.44 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.253 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -71.13 -40.02 71.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.749 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -74.25 -22.34 59.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.9 mtm -86.87 -23.55 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.188 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.89 -26.58 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.672 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.1 mt -83.62 -37.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.403 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.75 -32.3 73.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.657 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.194 178.431 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 10.1 tt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.874 0.368 . . . . 0.0 110.073 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 m -58.72 -28.9 66.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 m -86.66 -17.13 34.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.51 0.671 . . . . 0.0 110.776 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.2 mmtm -75.88 -57.32 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.39 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.8 p -66.21 -33.84 76.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.247 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 p -66.48 -39.04 88.54 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 120.988 0.423 . . . . 0.0 111.168 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -69.6 -44.4 70.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.108 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.39 -46.33 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.531 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.71 -46.8 83.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.52 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -72.94 -37.59 67.1 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.2 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.45 92.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.223 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.7 mtm -66.09 -40.36 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.416 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -59.13 -54.59 45.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.501 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.0 t30 -62.25 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.007 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.28 71.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -24.69 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.0 111.553 -175.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.549 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 38.7 mt -69.02 -30.26 68.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -82.96 -26.06 31.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.655 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.7 p -88.44 -59.65 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.167 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.3 t -119.97 -8.79 9.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.771 0.32 . . . . 0.0 111.27 -175.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.53 63.15 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.239 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 109' ' ' THR . 33.4 t -120.15 135.05 61.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.549 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 18.6 t -105.21 145.42 13.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.849 0.357 . . . . 0.0 110.792 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.19 94.78 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.058 0.456 . . . . 0.0 109.833 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.5 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.9 tp60 -63.23 -48.19 83.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.223 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.0 Cg_exo -50.18 -43.31 43.54 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 122.047 1.831 . . . . 0.0 112.169 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.44 ' O ' HG12 ' A' ' 120' ' ' ILE . 37.9 t80 -57.71 -50.4 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.136 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.506 HD11 ' CG1' ' A' ' 112' ' ' VAL . 80.6 mt -61.39 -38.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.764 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 79.1 m-20 -69.44 -43.97 72.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.012 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.35 -46.94 85.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.9 mm -61.39 -47.54 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.6 p -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.318 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.764 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.1 mm-40 -69.97 -49.0 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.35 -53.03 62.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.373 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.2 t -56.14 -49.55 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.292 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -34.68 76.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -53.21 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.54 -177.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.58 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.517 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 111.428 -178.631 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.227 -0.094 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.72 -12.54 22.13 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.278 1.985 . . . . 0.0 112.129 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.9 m95 -93.05 1.46 57.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.3 p -69.63 -20.67 63.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.182 0.515 . . . . 0.0 111.255 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -143.53 123.83 7.81 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.523 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.74 -41.87 66.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.94 2.427 . . . . 0.0 112.449 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -33.25 84.67 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.799 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.56 -43.79 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.846 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.14 -53.09 62.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.672 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.521 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.3 m-80 -60.01 -39.31 85.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.289 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.62 -50.87 70.83 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.508 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.41 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 20.3 mmt -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.379 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -47.54 84.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -67.96 -43.31 79.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.34 -57.49 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.262 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -59.02 -41.35 87.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.6 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.9 -52.71 63.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.379 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.75 -38.17 85.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.608 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.3 tm? -65.16 -35.1 80.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.451 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.6 t -65.57 -13.77 59.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.0 t -101.43 -8.76 21.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.793 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.8 mtt -87.03 149.23 47.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.943 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 160.09 40.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.748 2.299 . . . . 0.0 113.005 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.42 -29.84 10.84 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.389 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -101.73 155.8 17.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 111.551 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -113.18 162.83 15.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.243 176.105 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -41.09 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -38.83 75.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.863 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 69.8 mt-30 -76.04 -40.22 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' SER . 85.6 mt -67.24 -30.59 70.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.99 -33.79 76.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.76 -39.61 61.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.157 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.4 mtt -60.43 -32.02 70.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.404 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -59.69 -39.7 85.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 109.852 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 98.8 m -69.71 -40.27 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.738 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.46 -43.95 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.064 0.459 . . . . 0.0 109.992 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 20' ' ' MET . . . -56.85 -50.02 73.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.048 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 43' ' ' THR . 2.8 pt20 -70.47 -29.68 66.29 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.447 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -74.75 -46.99 33.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.4 mmm -61.13 -44.25 97.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.255 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.9 -48.42 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.166 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.5 -35.05 79.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -66.79 -22.71 66.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.096 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.21 -30.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.263 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.12 -56.2 20.38 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -69.81 -25.84 63.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.78 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.22 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.3 m120 . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.83 0.348 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.4 mmmt -64.02 -46.0 86.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -58.28 -28.23 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.21 -44.29 13.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.853 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.91 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.0 110.731 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.0 mt -70.0 -34.78 73.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.172 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -76.36 -22.44 54.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.406 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.1 mmt -67.81 -46.85 70.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.227 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.11 -60.69 3.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.275 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.5 p90 -67.05 -30.77 70.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.901 -174.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.3 78.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.79 0.328 . . . . 0.0 110.529 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -67.4 -43.9 80.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.885 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -65.75 -41.37 92.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.4 mtm -68.4 -29.11 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.378 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.17 97.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.49 -47.37 86.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.16 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.5 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 64.7 mt -60.39 -46.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.777 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.56 -41.37 73.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.802 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.54 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.561 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 5.9 tt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.682 0.277 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -59.78 -31.2 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.779 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -96.41 -13.33 23.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.524 0.678 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.561 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 10.5 mmmm -77.47 -37.75 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.385 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 p -82.57 -32.0 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 p -68.49 -50.46 52.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.436 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.7 mt -48.22 -49.74 12.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.277 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -57.02 -44.9 83.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -73.82 -38.97 64.39 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.114 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.63 85.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.916 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.555 ' HE3' HG12 ' A' ' 117' ' ' ILE . 30.5 mtm -67.08 -43.28 82.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.179 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 t -56.03 -45.12 79.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.242 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.566 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 24.7 t30 -67.22 -39.76 86.3 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.51 87.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.407 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -60.33 -41.75 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.079 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.56 -26.43 64.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.7 mm-40 -84.32 -16.27 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 18' ' ' ASN . 23.9 p -111.27 -57.21 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.8 t -114.95 -12.58 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.996 -175.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 10.3 83.71 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.004 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -144.66 134.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.57 137.04 35.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.758 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -97.2 95.38 7.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.517 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.4 tp60 -62.91 -49.1 83.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.137 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.0 Cg_exo -52.66 -42.81 60.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 121.974 1.783 . . . . 0.0 112.545 176.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.555 ' O ' HG12 ' A' ' 120' ' ' ILE . 59.5 t80 -56.46 -50.28 72.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.742 176.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.555 HG12 ' HE3' ' A' ' 101' ' ' MET . 76.2 mt -65.96 -38.66 82.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.076 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.52 -46.01 91.71 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.5 tp10 -60.31 -44.83 95.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.139 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.5 mm -59.44 -48.39 87.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.427 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.0 p -58.87 -33.18 70.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 126' ' ' MET . 12.3 pt20 -88.93 -21.84 23.38 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.505 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 69.6 mt -68.43 -53.28 24.7 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.2 -45.98 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 m -62.44 -39.2 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.964 0.412 . . . . 0.0 110.965 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -71.07 -44.9 64.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -176.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.55 -29.19 64.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.133 -179.781 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.35 -9.1 14.18 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.827 2.352 . . . . 0.0 113.858 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.567 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 7.6 m95 -95.77 4.48 52.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.566 0.222 . . . . 0.0 111.092 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -69.52 -23.94 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.029 0.442 . . . . 0.0 111.264 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -138.16 127.74 14.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.254 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.91 -35.12 69.54 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.088 2.525 . . . . 0.0 112.806 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.06 37.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.822 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.36 -40.01 92.71 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.291 0.091 . . . . 0.0 110.853 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.71 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.325 0.391 . . . . 0.0 111.055 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.45 -50.54 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.321 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.474 ' HB3' HG22 ' A' ' 108' ' ' THR . 27.1 m-80 -62.0 -43.7 98.28 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.52 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.8 -49.64 76.92 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.505 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 12.1 mmt -58.95 -49.6 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.483 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -65.41 -31.73 72.99 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.791 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.32 -56.72 8.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.434 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.8 ppp? -63.64 -37.62 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.522 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 13.1 mm100 -68.07 -46.96 69.6 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.746 0.307 . . . . 0.0 111.273 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.73 -40.47 93.87 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.345 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.9 -35.04 79.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.687 0.279 . . . . 0.0 111.071 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.2 m -65.73 -16.16 63.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -92.45 -10.13 39.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.529 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.1 mtt -96.62 154.11 38.57 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.458 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.93 154.71 19.84 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.725 2.283 . . . . 0.0 112.428 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.47 6.36 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.431 172.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.93 178.07 4.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.195 0.521 . . . . 0.0 111.351 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 1.4 m -131.98 159.44 38.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 176.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.07 69.58 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -59.57 -45.33 92.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.501 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.4 mp0 -72.42 -34.35 67.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.95 -30.11 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.526 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.08 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.526 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -72.8 -36.29 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mtt -60.41 -24.2 64.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.663 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 t -62.61 -32.48 73.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 0.0 109.985 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -65.93 -43.19 88.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.156 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.76 -42.23 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.379 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -59.11 -27.98 66.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.314 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -91.51 -52.52 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -57.34 -50.26 73.52 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.366 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.8 mmm -58.32 -41.37 84.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.742 0.306 . . . . 0.0 111.112 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.9 t -62.79 -44.1 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.614 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -63.45 -39.02 93.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.257 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.767 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.87 -33.5 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.258 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.75 -50.66 72.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.178 0.513 . . . . 0.0 109.875 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -66.91 -27.19 67.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.995 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.8 tp . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.71 -179.399 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m120 . . . . . 0 CA--C 1.528 0.103 0 CA-C-O 120.767 0.318 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -69.25 -33.77 73.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.286 0.565 . . . . 0.0 110.081 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.567 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -66.97 -25.03 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.403 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -90.11 8.04 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.81 -38.46 3.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.479 173.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.8 -24.61 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -67.84 -38.04 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.4 ptp -85.51 -16.92 37.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 110.364 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.42 -60.01 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.184 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' HZ2' ' A' ' 10' ' ' TRP . 6.9 p90 -69.64 -28.18 65.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.321 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.63 80.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.99 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t -65.58 -46.28 80.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.293 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.526 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mtp -61.37 -36.84 81.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -60.85 -44.24 97.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.372 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.13 -27.67 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 78.8 mt -78.01 -40.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.5 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.014 0.435 . . . . 0.0 111.526 -179.63 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.234 0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 m -54.55 -41.85 70.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.647 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 m -82.27 -26.83 32.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HB2' HD23 ' A' ' 90' ' ' LEU . 46.1 mmtm -61.54 -55.88 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 p -63.94 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.782 -173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m -66.09 -46.0 79.21 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.382 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 p -71.78 -43.76 65.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.46 -48.3 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.994 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.02 -41.66 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.312 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -78.5 -36.77 44.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.233 -173.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.89 85.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.0 mtm -70.35 -37.2 74.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 0.0 110.24 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.338 0.59 . . . . 0.0 109.585 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.2 t30 -61.57 -39.88 92.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.905 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.67 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.75 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -70.14 -26.24 63.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 64.5 mt -78.41 -28.78 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.1 mm-40 -78.94 -23.19 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.754 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.474 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.5 p -93.19 -68.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 t -111.44 -32.74 6.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.904 0.383 . . . . 0.0 111.017 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.77 -7.04 38.34 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.531 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.15 125.68 70.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 117' ' ' ILE . 21.6 t -99.78 138.53 23.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.472 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -97.24 98.13 9.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.076 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.513 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.0 tp60 -62.5 -49.3 84.02 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.962 -177.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.9 Cg_exo -49.64 -46.26 27.82 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.118 1.879 . . . . 0.0 112.326 174.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.8 t80 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.251 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 112' ' ' VAL . 70.9 mt -64.84 -37.33 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.078 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.5 m-20 -65.65 -46.32 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.88 -53.78 54.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.09 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.5 mm -58.56 -47.84 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.788 -177.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.447 HG21 ' HB2' ' A' ' 98' ' ' ALA . 19.9 p -63.96 -28.57 69.91 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.496 -176.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 14.2 mm100 -78.85 -36.01 43.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.803 0.335 . . . . 0.0 110.158 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.0 -52.09 64.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.745 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 120' ' ' ILE . 90.2 t -55.63 -44.59 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.792 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.6 t -57.66 -40.64 79.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.1 tpp -75.33 -47.88 25.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.205 -174.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -69.56 -30.57 68.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.456 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 8' ' ' THR . 49.3 Cg_endo -69.0 -10.3 28.77 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.477 2.118 . . . . 0.0 113.81 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -89.9 2.4 55.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 0.0 110.746 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 HD22 ' A' ' 12' ' ' ASN . 9.0 t -64.53 -23.82 67.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -177.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.609 HD22 HG23 ' A' ' 11' ' ' THR . 49.6 m-80 -139.19 127.77 13.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.89 -41.07 65.16 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.612 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.06 -40.69 95.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.945 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -67.42 -39.25 85.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.042 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.71 -45.87 88.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.42 -40.46 97.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.9 -49.35 73.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.455 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.52 -48.33 82.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.606 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -59.12 -47.63 84.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.246 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 m -63.2 -35.98 82.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.036 0.446 . . . . 0.0 110.532 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 58.3 t80 -64.61 -55.83 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.011 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.491 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 76.4 mm-40 -70.25 -49.35 50.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.844 0.354 . . . . 0.0 110.354 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.56 82.4 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 22.4 tp -73.62 -27.28 61.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.56 ' HA ' HD13 ' A' ' 38' ' ' LEU . 19.9 t -70.76 -13.48 62.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.382 0.61 . . . . 0.0 109.617 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -91.64 -9.77 42.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.143 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG3' HD12 ' A' ' 27' ' ' LEU . 19.9 mmt -89.74 155.43 47.97 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.85 -178.28 4.06 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.8 2.333 . . . . 0.0 112.054 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 -40.08 3.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 113.197 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 27' ' ' LEU . 68.0 m-85 -86.53 150.96 23.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 111.285 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -107.08 161.54 14.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.146 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.77 81.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 111.549 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -57.95 -36.24 72.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.26 0.552 . . . . 0.0 110.818 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 72.3 mt-30 -76.92 -42.51 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.756 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.56 HD13 ' HA ' ' A' ' 28' ' ' SER . 97.7 mt -65.43 -30.15 70.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.461 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.38 -35.31 79.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.929 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -78.73 -24.53 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.477 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.3 mmt -60.14 -29.16 68.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 110.488 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -65.56 -26.83 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.194 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -59.91 -51.83 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 109.739 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.85 -36.91 78.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.58 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.434 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -103.61 -58.8 1.82 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -56.27 -47.86 77.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.276 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 88.8 mmm -60.65 -51.95 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 111.227 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.94 -50.17 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.268 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -29.23 68.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.67 -176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.04 -37.65 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.5 -34.92 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -59.95 -47.19 86.82 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 m -73.65 -8.79 57.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.4 tp . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.749 179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.631 0.253 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -65.63 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.941 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 8' ' ' THR . 4.0 mm? -70.92 -17.83 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.55 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.52 7.24 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -109.94 -42.42 4.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.109 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.6 -20.59 63.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -71.31 -31.19 67.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.559 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.1 mtm -86.18 -30.5 22.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.105 0.479 . . . . 0.0 109.935 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.16 -55.59 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.013 -175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.478 ' O ' ' HG3' ' A' ' 77' ' ' MET . 5.0 p90 -76.26 -22.71 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.06 -36.67 69.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.959 0.409 . . . . 0.0 110.591 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -67.06 -36.57 82.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.758 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -35.77 53.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.111 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 50.6 mtm -68.22 -28.64 67.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.556 0.217 . . . . 0.0 110.789 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.16 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.71 -32.69 74.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.4 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 70.4 mt -77.05 -40.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.23 80.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.514 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.094 0.473 . . . . 0.0 111.851 -178.425 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.6 tt . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -61.86 -34.78 76.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -72.1 -38.12 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -66.27 -52.03 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.975 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 p -59.64 -41.31 90.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 p -69.11 -36.72 77.82 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 120.976 0.417 . . . . 0.0 110.924 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 57.6 m -67.14 -43.58 82.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.28 -49.5 79.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.07 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.183 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 m -71.22 -39.49 71.69 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.07 81.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.221 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.526 ' HE3' HG12 ' A' ' 117' ' ' ILE . 26.0 mtm -64.36 -41.95 96.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.299 . . . . 0.0 110.33 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -57.05 -50.69 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.589 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -64.1 -37.72 88.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.876 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.94 91.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.276 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 35.5 m-85 -60.47 -38.96 85.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.66 -16.84 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.569 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.1 mm-40 -98.37 -2.04 40.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 p -118.96 -59.52 1.85 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -118.09 -9.07 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.348 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.97 8.66 86.34 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.148 173.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.462 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 6.7 p -140.58 135.57 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.135 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.0 t -101.6 127.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 117' ' ' ILE . 50.7 t-20 -85.38 86.45 7.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 20.5 tp60 -60.59 -51.61 78.59 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.151 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.0 Cg_endo -52.49 -40.06 72.79 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.325 2.017 . . . . 0.0 112.464 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.496 ' O ' HG12 ' A' ' 120' ' ' ILE . 51.7 t80 -58.2 -44.26 88.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 110.871 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.526 HG12 ' HE3' ' A' ' 101' ' ' MET . 63.8 mt -71.66 -33.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.75 -9.04 58.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.955 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.66 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.054 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 116' ' ' PHE . 39.1 mm -54.66 -39.8 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.672 -177.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.4 p -58.82 -26.36 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -78.34 -50.84 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.925 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.15 -51.91 55.08 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 120' ' ' ILE . 60.3 t -57.26 -44.14 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.9 m -67.54 -45.59 75.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -51.06 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.19 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.73 -31.17 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.642 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 -179.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.58 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.15 -13.31 39.22 Favored 'Trans proline' 0 N--CA 1.471 0.203 0 C-N-CA 122.194 1.929 . . . . 0.0 112.844 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.453 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.8 m95 -102.94 12.13 36.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.964 -176.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.4 p -63.01 -33.36 75.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.493 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -139.36 131.55 15.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.054 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.58 -42.03 71.92 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.954 2.436 . . . . 0.0 113.017 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.57 -42.3 72.95 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.97 -42.53 94.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.98 -48.36 80.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.893 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -54.57 -50.67 67.41 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.941 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -63.37 -47.08 83.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.671 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.12 -51.86 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.47 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 96.4 mmm -62.58 -38.0 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.688 -173.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -76.03 -41.87 49.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.348 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -63.04 -38.81 92.66 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.001 0.429 . . . . 0.0 110.304 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.31 -52.29 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.5 ttm -57.26 -54.55 45.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.317 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.34 -45.15 92.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.91 -31.79 79.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.618 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -73.07 -30.48 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.692 0.282 . . . . 0.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -67.29 -18.4 65.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.282 0.563 . . . . 0.0 110.0 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -91.94 -5.11 53.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.504 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 mtt -99.71 146.43 31.82 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.267 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.64 158.7 54.59 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.835 2.356 . . . . 0.0 112.774 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.67 -34.12 5.94 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.11 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 70.5 m-85 -101.54 176.56 5.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -153.65 162.94 40.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.38 -39.63 64.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -57.58 -44.61 85.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.319 0.581 . . . . 0.0 110.693 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.83 -37.48 73.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.274 -179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 4.4 mm? -70.09 -26.4 63.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.472 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 42' ' ' SER . 18.0 t70 -64.22 -42.86 96.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.507 ' OD2' HD11 ' A' ' 80' ' ' ILE . 24.9 t70 -72.41 -34.4 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 109.967 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.7 mtt -62.45 -29.23 70.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 173.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 22.8 t -65.14 -42.09 94.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 85.0 m -59.2 -50.04 75.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.525 174.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 40' ' ' ASP . 64.6 mt -55.29 -53.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.474 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -53.01 -53.11 54.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.166 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.553 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 62.5 tt0 -62.59 -48.95 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.658 -177.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 t -60.44 -47.39 86.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.0 mmm -60.89 -46.76 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 0.0 111.278 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 45' ' ' ALA . 97.9 t -58.0 -51.22 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.553 ' NE2' ' HG2' ' A' ' 46' ' ' GLN . 49.4 mt-30 -59.06 -41.6 88.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.325 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -59.52 -35.08 73.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.14 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.0 -32.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.6 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 79.5 mm-40 -55.04 -53.17 59.22 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.374 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -72.16 -30.96 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.561 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.569 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.926 0.394 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 -175.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -61.08 -35.25 76.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.239 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.414 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 2.0 mp0 -77.89 -38.48 45.72 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.494 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.65 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -84.67 -33.39 23.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.862 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 28.6 p30 -75.32 -28.26 59.59 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.577 -174.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -82.37 -25.58 33.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 109.821 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.71 -56.97 9.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.428 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.494 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.7 p90 -69.6 -27.76 65.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.224 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.9 79.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.607 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -63.42 -46.34 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 17.2 m -65.69 -40.84 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 40.5 mtm -69.65 -25.47 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.84 88.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.413 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 76' ' ' SER . 10.1 pt-20 -72.64 -29.8 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.125 0.488 . . . . 0.0 110.144 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.507 HD11 ' OD2' ' A' ' 40' ' ' ASP . 64.4 mt -70.85 -41.08 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.282 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.49 -27.65 69.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.905 175.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 111.267 179.215 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 m -55.67 -36.38 67.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.801 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 -25.75 53.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 19.6 mmtm -72.27 -51.03 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.6 p -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.986 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -59.16 -44.39 92.12 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.772 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 m -69.95 -44.62 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.796 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.3 mt -53.89 -47.51 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.156 0.503 . . . . 0.0 110.523 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.89 93.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.51 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -75.67 -38.66 58.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.315 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.62 95.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.339 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 mtm -67.57 -41.05 84.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 25.0 t -57.38 -51.03 71.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.6 t30 -61.18 -41.18 96.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.05 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.633 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.74 -41.07 97.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 111.236 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 102' ' ' SER . 93.7 mt -68.8 -29.26 67.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.474 -177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -79.02 -26.18 43.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 111.091 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.2 p -96.59 -60.31 1.63 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 111' ' ' VAL . 4.1 t -112.66 -20.18 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -176.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.55 -17.16 59.09 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.28 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 109' ' ' THR . 12.0 t -105.46 129.41 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.442 ' CG2' HD11 ' A' ' 117' ' ' ILE . 12.2 p -110.32 141.1 26.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.122 0.487 . . . . 0.0 110.572 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.476 ' O ' HG13 ' A' ' 117' ' ' ILE . 49.5 t-20 -101.38 96.94 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.173 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.5 tp60 -65.19 -45.92 72.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.024 -176.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 88.5 Cg_exo -49.48 -47.13 23.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.056 1.837 . . . . 0.0 112.003 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.487 ' O ' HG12 ' A' ' 120' ' ' ILE . 42.6 t80 -55.57 -49.54 72.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.129 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 113' ' ' ASN . 79.2 mt -62.59 -40.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.205 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.68 -43.29 84.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.107 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 6.4 tp10 -58.79 -47.07 86.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.6 mm -62.49 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.333 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -62.33 -26.9 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.944 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -51.52 17.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 93.9 mt -56.93 -51.11 70.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.399 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -55.07 -46.45 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 t -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 0.0 110.345 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.4 tpp -75.17 -27.2 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.727 -173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.72 -34.81 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.624 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.902 179.347 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.02 -20.3 71.21 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.651 2.234 . . . . 0.0 113.931 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.7 m95 -90.73 7.07 41.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 0.0 111.435 -174.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -68.44 -32.14 71.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 111.445 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -130.59 134.11 25.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.768 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.74 -41.92 42.84 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.822 2.348 . . . . 0.0 112.509 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.66 -36.76 83.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.684 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.74 -43.37 89.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.79 93.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.761 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' HG21 ' A' ' 49' ' ' VAL . 33.6 tt0 -63.12 -48.64 77.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.485 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.64 -38.54 90.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.051 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -63.86 -53.5 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.2 mmt -59.7 -39.56 85.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.911 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.49 -50.43 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.321 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -64.47 -38.85 92.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 110.51 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 27' ' ' LEU . 38.8 t80 -58.58 -52.17 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.75 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ttm -55.43 -54.89 38.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.468 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.58 -44.0 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.408 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.31 -40.59 87.23 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.128 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -70.46 -36.12 73.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.993 0.425 . . . . 0.0 109.976 -178.385 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -65.53 -10.79 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.936 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -98.42 -8.78 26.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.292 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 61.9 mtt -95.42 161.61 27.32 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -176.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 30' ' ' MET . 79.9 Cg_endo -79.96 179.56 6.13 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.447 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.24 2.18 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.125 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 96.1 m-85 -106.73 160.44 15.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.236 0.541 . . . . 0.0 111.437 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.96 157.0 21.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.214 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.31 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.157 0.503 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 23.3 p -64.28 -55.77 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.085 176.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.77 -30.98 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.282 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.4 -21.53 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.063 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 36' ' ' SER . 9.1 t70 -59.3 -43.39 92.61 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.211 0.529 . . . . 0.0 110.451 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' ILE . 12.0 t70 -69.54 -42.4 74.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.767 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -61.84 -34.81 76.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 109.604 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.9 m -69.06 -43.11 75.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.577 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 40' ' ' ASP . 72.4 mt -60.27 -39.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.91 -23.75 61.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.399 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -92.12 -52.77 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.476 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 t -58.84 -46.59 87.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.896 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.35 -49.05 77.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.082 -176.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 17' ' ' GLU . 92.0 t -62.28 -42.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -56.49 -40.18 74.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -61.19 -42.12 98.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.39 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.76 -29.79 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -59.26 -46.89 87.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.9 0.381 . . . . 0.0 110.468 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -74.96 -33.87 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 tp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.778 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -76.97 -36.8 56.21 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -68.03 -33.59 74.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.933 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.53 -1.31 55.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.912 0.387 . . . . 0.0 111.434 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.16 -46.45 4.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.095 0.474 . . . . 0.0 110.284 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' MET . 94.7 mt -65.22 -28.4 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.855 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.05 -34.09 77.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 mtm -88.63 -29.41 19.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.164 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.25 -57.01 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.828 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.2 p90 -73.17 -20.88 60.8 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 -177.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.1 -36.41 66.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -65.24 -41.55 94.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.2 m -68.17 -32.6 72.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 52.9 mtm -80.28 -24.14 40.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.799 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.35 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.339 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 1.3 pt-20 -66.64 -33.73 76.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.139 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.534 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 57.8 mt -71.27 -41.21 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.108 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.575 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.628 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.527 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 9.1 tt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 120.727 0.298 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 p -58.91 -27.38 65.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -93.52 -12.63 29.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.04 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 30.1 mmtm -77.95 -50.18 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.43 HG21 ' OG ' ' A' ' 125' ' ' SER . 23.9 p -71.43 -29.42 64.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.806 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 p -70.03 -38.31 75.84 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 111.357 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 p -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.454 ' O ' ' HG3' ' A' ' 101' ' ' MET . 79.6 mt -52.99 -48.65 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.523 175.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.493 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.4 -48.29 81.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.498 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -68.08 -40.05 82.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.91 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.305 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 24.0 mtm -65.49 -39.59 92.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.818 0.342 . . . . 0.0 110.412 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.466 ' HA ' HG21 ' A' ' 112' ' ' VAL . 46.9 t -56.73 -52.78 63.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.463 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.3 t30 -64.86 -41.94 95.28 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.5 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.886 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -29.09 62.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 110.605 -176.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.11 -31.66 69.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.876 0.37 . . . . 0.0 110.945 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 16.9 mm-40 -76.07 -43.59 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.061 0.457 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -74.76 -58.98 2.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.809 -171.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.0 t -113.67 -13.11 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.028 0.442 . . . . 0.0 110.976 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.59 -28.18 10.66 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.068 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.2 t -104.68 138.3 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 102' ' ' SER . 8.7 p -118.82 142.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.809 0.338 . . . . 0.0 110.612 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -94.75 99.99 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.823 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.512 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.7 tp60 -64.62 -48.73 73.24 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.136 -177.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.6 Cg_exo -49.21 -45.66 28.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.261 1.974 . . . . 0.0 112.441 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 120' ' ' ILE . 57.4 t80 -55.06 -49.24 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.299 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' A' ' 112' ' ' VAL . 69.8 mt -66.29 -34.53 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -81.47 -7.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -92.23 -47.79 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.809 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.6 mm -58.8 -41.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.091 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.9 p -60.15 -28.69 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 111.364 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 126' ' ' MET . 83.9 mm-40 -79.73 -45.93 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.706 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.87 -52.82 63.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.256 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.26 -46.41 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.43 ' OG ' HG21 ' A' ' 94' ' ' THR . 22.3 m -64.12 -37.25 86.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.059 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -75.18 -47.71 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.006 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.07 -34.34 77.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.133 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.651 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 p . . . . . 0 N--CA 1.448 -0.556 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.4 15.96 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.539 2.159 . . . . 0.0 113.248 -175.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.497 ' HB2' HD22 ' A' ' 66' ' ' LEU . 13.1 m95 -107.3 3.57 25.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.47 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 p -62.54 -32.5 73.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 111.778 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -133.94 127.86 19.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.542 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.93 -45.65 39.45 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.498 2.132 . . . . 0.0 112.227 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.1 -36.17 92.91 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.45 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.53 -43.93 72.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.45 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.38 -51.12 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.435 ' HB3' HG22 ' A' ' 108' ' ' THR . 12.1 m-80 -64.11 -37.28 86.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.461 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.18 -49.84 75.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.884 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' A' ' 24' ' ' MET . 17.7 mmt -63.26 -40.71 98.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.652 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -58.47 -51.6 69.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -66.58 -35.31 79.89 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.83 -58.56 7.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.316 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 6.4 ptp -58.32 -44.63 88.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.581 -175.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.522 ' N ' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-30 -71.25 -39.37 71.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.956 -174.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.25 -39.26 88.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.71 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 tp -70.38 -31.02 68.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.427 . . . . 0.0 110.666 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' HD13 ' A' ' 38' ' ' LEU . 29.9 t -70.15 -6.77 36.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.055 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 t -107.39 -9.87 15.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.345 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 45.5 mtt -91.71 150.28 40.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.089 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.69 170.78 18.69 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.03 -38.23 3.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.308 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.78 -178.32 3.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.066 0.46 . . . . 0.0 110.939 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -144.86 173.46 11.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' H ' HG22 ' A' ' 34' ' ' THR . . . -54.95 -37.0 65.92 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.67 -54.26 49.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.471 0.653 . . . . 0.0 110.846 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 23.3 mp0 -67.01 -36.24 81.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.975 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 34' ' ' THR . 73.8 mt -70.84 -28.72 64.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.38 -40.4 81.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.204 0.525 . . . . 0.0 109.75 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.98 -46.06 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.637 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -53.94 -41.3 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.423 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -60.17 -38.34 82.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.3 m -69.98 -42.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.41 -44.27 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.932 0.396 . . . . 0.0 110.023 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -54.21 -46.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.353 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.13 -52.61 54.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.571 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 t -60.93 -38.57 86.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.623 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.82 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.731 0.3 . . . . 0.0 110.45 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 45' ' ' ALA . 87.2 t -61.87 -48.07 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.197 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -56.4 -40.86 75.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.247 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -58.09 -49.08 78.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.8 -32.94 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -63.32 -52.0 63.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -65.16 -38.64 91.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.615 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.279 178.179 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.674 0.273 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -63.7 -26.79 68.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.741 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 10' ' ' TRP . 25.0 mt -71.92 -24.28 61.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.57 11.08 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.41 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.9 -41.67 3.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.789 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.93 -30.06 71.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.205 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -72.75 -33.49 66.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.013 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.429 ' HA ' HD21 ' A' ' 123' ' ' LEU . 19.7 ptp -85.36 -9.92 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.025 0.441 . . . . 0.0 110.504 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 -58.15 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.6 p90 -70.1 -28.73 65.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.731 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -33.23 75.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.621 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -67.4 -44.31 79.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.245 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.5 m -69.48 -40.88 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 41.7 mtm -65.57 -28.7 69.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.966 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.26 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.448 . . . . 0.0 110.872 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -73.79 -23.53 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.71 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.522 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 70.3 mt -81.15 -36.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.163 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.41 -29.0 67.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.27 178.065 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 7.8 tt . . . . . 0 CA--C 1.53 0.185 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -56.6 -44.29 80.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.845 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.836 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 43.7 mmtm -64.23 -58.78 5.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.3 p -68.99 -30.22 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.851 -173.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.4 t -60.76 -43.1 98.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -69.93 -41.1 75.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -55.96 -43.94 76.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.421 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.57 -49.42 72.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.957 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -77.94 -32.26 51.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.91 91.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.243 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.97 -38.4 76.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.403 ' OG ' HD13 ' A' ' 117' ' ' ILE . 27.2 m -58.38 -52.68 64.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.297 0.57 . . . . 0.0 110.125 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.7 t30 -59.21 -38.06 79.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.175 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.36 95.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.981 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -79.2 -17.84 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.951 0.405 . . . . 0.0 111.086 -175.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.542 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 24.1 mt -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.159 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 9.1 mm-40 -80.75 -28.35 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.988 0.423 . . . . 0.0 110.74 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.9 p -83.54 -60.06 2.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.209 -175.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 t -110.75 -38.24 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.793 0.33 . . . . 0.0 110.74 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.13 -11.69 34.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.297 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -117.95 127.87 75.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.542 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 14.7 t -100.85 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.403 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 48.9 t-20 -88.4 101.0 13.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.128 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.546 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.8 tp60 -64.07 -51.62 61.62 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.838 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.1 Cg_exo -51.81 -40.47 65.88 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 121.99 1.793 . . . . 0.0 112.581 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.5 -48.92 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.217 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.496 HD11 ' CG1' ' A' ' 112' ' ' VAL . 54.7 mt -69.62 -38.85 77.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.663 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.29 -31.37 72.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.69 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -77.57 -53.67 7.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.9 mm -54.84 -49.21 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 98' ' ' ALA . 16.5 p -56.85 -37.16 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.847 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.55 -24.43 22.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 71' ' ' MET . 34.2 tp -69.61 -42.45 74.36 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 120' ' ' ILE . 86.9 t -62.49 -44.98 99.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.882 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.2 t -58.89 -38.94 80.01 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.462 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -46.35 72.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.049 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -69.7 -24.64 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 179.586 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.62 -7.43 12.72 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.394 2.063 . . . . 0.0 112.24 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.575 ' HB2' HD12 ' A' ' 66' ' ' LEU . 6.4 m95 -95.4 2.6 54.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.861 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -72.63 -12.31 60.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.728 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -149.3 123.94 4.79 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.63 -36.86 82.64 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.095 2.53 . . . . 0.0 112.254 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.45 -37.67 69.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.875 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 15' ' ' LEU . 27.8 mt -67.03 -47.31 71.78 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 176.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.99 76.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.017 0.437 . . . . 0.0 110.599 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.4 -56.5 21.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.802 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.525 ' HB3' HG22 ' A' ' 108' ' ' THR . 12.5 m-80 -62.3 -42.5 99.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.443 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.54 -52.39 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.919 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.46 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 15.0 mmt -61.5 -42.11 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.775 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -49.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.779 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -64.53 -40.2 95.18 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 101' ' ' MET . 59.6 t80 -59.75 -55.85 29.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.059 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.0 ttm -57.19 -47.97 79.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 15.9 mm-40 -66.58 -47.6 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.516 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -65.63 -33.0 84.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.16 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 tp -73.22 -36.68 66.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -62.17 -19.69 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.021 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -98.45 0.62 45.58 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.563 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 57.7 mtt -94.56 143.53 26.42 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.34 140.09 62.54 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.824 2.349 . . . . 0.0 112.362 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -28.98 6.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.101 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -107.11 129.42 54.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 0.0 111.603 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.05 159.23 15.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.214 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.78 -33.62 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -55.66 -38.15 69.21 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.065 0.459 . . . . 0.0 111.08 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.86 -44.15 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.88 -25.46 65.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.417 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.99 -42.78 99.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.575 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' OD2' HD11 ' A' ' 80' ' ' ILE . 18.8 t70 -78.26 -40.19 37.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.363 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.6 mtt -57.64 -28.31 63.58 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 111.612 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.2 m -69.41 -49.48 54.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.356 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.83 -47.25 86.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.918 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.85 -51.3 52.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.792 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.26 -47.68 63.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.582 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 33.1 t -61.08 -35.48 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.018 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.97 -46.4 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.994 -0.441 . . . . 0.0 110.076 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.524 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.9 t -60.77 -46.03 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.2 pt20 -61.11 -36.76 80.58 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.247 -176.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -65.25 -39.67 92.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.006 0.431 . . . . 0.0 110.212 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.25 -30.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.128 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 80.9 mm-40 -61.3 -58.16 9.39 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -61.46 -27.8 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.374 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.947 -178.75 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.463 0.193 0 CA-C-O 120.957 0.408 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.2 mmmt -65.1 -41.85 94.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.104 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -72.9 -24.73 60.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -177.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -80.33 -25.88 39.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.561 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.9 -31.99 45.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.185 0.516 . . . . 0.0 110.427 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.2 mt -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.068 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -74.37 -25.93 59.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.439 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.6 mtm -88.04 -24.11 23.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 0.0 109.75 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.34 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.589 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' A' ' 77' ' ' MET . 12.4 p90 -70.64 -30.43 67.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.485 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.83 95.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -65.64 -40.31 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.102 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -74.16 -29.13 61.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 39.7 mtm -76.78 -24.11 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.773 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.18 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.246 0.341 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.68 -35.82 79.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.497 HD11 ' OD2' ' A' ' 40' ' ' ASP . 58.5 mt -73.67 -41.16 55.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.771 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 90' ' ' LEU . . . -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.864 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.451 177.381 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' A' ' 81' ' ' ALA . 1.8 mt . . . . . 0 N--CA 1.463 0.219 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -47.9 -49.25 30.43 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.823 0.449 . . . . 0.0 112.133 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 m -83.2 -13.34 55.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.465 0.65 . . . . 0.0 111.086 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 3.1 mmmm -90.09 -46.92 8.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.617 -172.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.6 p -70.48 -35.18 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.977 0.418 . . . . 0.0 111.063 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -62.15 -38.7 90.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 p -75.74 -44.82 39.88 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -50.9 -53.04 15.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.875 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.28 79.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.898 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -76.41 -40.24 51.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.383 -174.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.42 92.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.15 0.5 . . . . 0.0 110.483 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 28.8 mtp -64.38 -41.34 96.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.06 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.48 ' HA ' HG11 ' A' ' 112' ' ' VAL . 34.0 t -61.93 -46.94 87.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.477 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.977 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.82 -42.5 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.051 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.414 ' HB3' HG22 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.195 -178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 84.5 mt -75.53 -29.65 59.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 23.9 mm-40 -77.54 -21.53 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.002 0.429 . . . . 0.0 110.729 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.525 HG22 ' HB3' ' A' ' 18' ' ' ASN . 16.2 p -98.76 -62.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -173.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 111' ' ' VAL . 15.0 t -118.37 -20.38 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.754 -173.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.58 -2.1 53.17 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.629 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.445 ' H ' HG23 ' A' ' 109' ' ' THR . 4.3 p -133.76 134.54 56.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.975 0.416 . . . . 0.0 110.434 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 102' ' ' SER . 4.1 t -112.01 141.49 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.953 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -93.15 96.46 10.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.3 tp60 -67.6 -47.61 45.51 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.378 -175.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.3 Cg_exo -51.66 -43.66 49.36 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.993 1.795 . . . . 0.0 112.051 176.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' ' 120' ' ' ILE . 61.5 t80 -52.01 -54.17 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.687 174.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.431 HG12 ' HE2' ' A' ' 101' ' ' MET . 75.5 mt -62.51 -41.21 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.488 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 89.8 m-20 -68.06 -24.28 65.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -91.33 -30.79 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.876 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 116' ' ' PHE . 26.5 mm -60.52 -45.55 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.548 177.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.9 p -59.76 -33.34 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 70.5 mt-30 -66.93 -50.43 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.425 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.42 -49.1 68.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.656 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 120' ' ' ILE . 86.3 t -54.36 -51.5 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.425 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 29.0 p -65.73 -38.01 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.316 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -44.77 82.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.351 0.119 . . . . 0.0 111.15 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -72.0 -28.36 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.64 0.257 . . . . 0.0 110.988 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 178.843 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.454 -0.239 0 CA-C-O 120.432 0.158 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.57 -16.85 43.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.377 2.052 . . . . 0.0 112.708 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.58 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.8 m95 -97.02 5.85 49.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -70.27 -12.5 61.63 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -151.21 126.42 4.78 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 52.2 Cg_exo -53.98 -33.46 72.78 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.021 2.48 . . . . 0.0 112.584 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.34 67.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.769 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 34.4 mt -64.2 -40.01 95.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.48 85.41 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.301 0.376 . . . . 0.0 110.688 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -63.47 -54.8 30.8 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.472 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HB3' HG22 ' A' ' 108' ' ' THR . 0.9 OUTLIER -59.5 -44.16 93.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.197 -175.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.51 -49.59 77.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.579 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.418 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 10.7 mmt -61.83 -45.59 93.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.6 OUTLIER -63.46 -44.97 92.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.791 0.329 . . . . 0.0 111.358 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -64.77 -34.22 77.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.18 0.515 . . . . 0.0 110.482 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.72 -54.66 24.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.652 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 22.2 ptm -62.75 -38.55 90.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.945 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.82 -42.25 64.02 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.942 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -67.62 -41.64 89.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.956 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.12 -32.18 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 0.0 110.775 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.4 t -66.25 -20.54 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.547 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 t -93.0 -7.27 46.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.477 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.7 mtt -97.2 153.75 38.35 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.55 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.45 165.41 31.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.702 2.268 . . . . 0.0 112.673 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.62 -37.87 3.32 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.907 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 55.6 m-85 -97.95 130.46 44.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 111.999 -176.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.7 161.57 13.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.26 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.4 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -61.15 -38.57 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.755 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.16 -34.75 42.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.564 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.08 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.64 -44.53 96.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.407 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -73.88 -39.3 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.06 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.15 -39.85 69.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.067 0.46 . . . . 0.0 110.708 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -35.35 79.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.4 m -68.79 -41.75 78.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -64.12 -19.33 65.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.214 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 43' ' ' THR . 11.7 pt20 -98.47 -50.65 4.22 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.991 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.9 m -80.68 -29.39 36.56 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -172.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.19 -42.3 99.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.277 0.56 . . . . 0.0 109.619 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 50.5 t -62.24 -48.63 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.351 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 52.4 mt-30 -56.57 -37.57 70.77 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -60.36 -46.02 91.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.248 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.38 -34.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.447 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 39.8 mt-30 -61.41 -29.43 69.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 110.632 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -86.73 -44.39 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.182 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 tp . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.82 -177.654 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.671 0.272 . . . . 0.0 111.474 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -69.0 -37.21 78.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 0.0 109.883 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.9 mm? -69.55 -16.23 63.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -97.6 -8.2 29.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -101.63 -42.65 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.168 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -23.84 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.994 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -72.76 -26.7 61.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.222 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 15.7 ptp -94.38 -23.1 17.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.71 -55.52 26.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.783 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.3 p90 -71.67 -27.61 63.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.314 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.55 77.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.631 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -66.02 -37.79 86.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -65.58 -38.17 88.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 48.6 mtm -76.57 -28.75 56.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.01 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.7 -43.92 80.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.65 -46.02 90.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.06 -41.06 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.857 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -67.24 -39.61 86.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.498 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.168 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 8.9 mp . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -53.29 -35.28 59.92 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.341 0.401 . . . . 0.0 111.28 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -91.37 -46.9 7.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.461 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.2 mptt -54.11 -60.65 3.04 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.8 p -60.38 -39.89 88.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.832 -170.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -61.28 -41.46 96.98 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 120.952 0.406 . . . . 0.0 111.203 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 m -68.34 -45.05 73.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.5 mt -53.46 -50.96 45.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 111.013 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.495 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -71.32 -37.88 71.73 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -173.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.21 87.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.9 mtm -67.44 -39.52 85.4 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.662 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -49.9 72.38 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.737 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.4 t30 -68.32 -38.74 81.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.469 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -50.17 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.88 -10.22 59.73 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.07 0.462 . . . . 0.0 111.28 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 51.7 mt -80.0 -24.98 40.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.358 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 30.0 mm-40 -81.7 -20.3 39.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.738 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.4 HG22 ' HB3' ' A' ' 18' ' ' ASN . 39.4 p -92.78 -63.57 1.21 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.021 -175.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 111' ' ' VAL . 3.3 t -114.23 -31.06 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.682 0.277 . . . . 0.0 111.21 -176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.93 -3.4 41.44 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.056 -1.068 . . . . 0.0 112.797 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 109' ' ' THR . 21.8 t -128.09 130.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 117' ' ' ILE . 2.4 t -114.07 158.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.893 0.377 . . . . 0.0 110.272 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 46.4 t-20 -97.52 98.7 10.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.729 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.519 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.6 tp60 -64.93 -48.86 70.89 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.375 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.7 Cg_exo -52.64 -39.68 75.27 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.01 1.807 . . . . 0.0 112.074 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.55 ' O ' HG12 ' A' ' 120' ' ' ILE . 54.9 t80 -55.86 -55.96 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.448 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 112' ' ' VAL . 61.0 mt -59.57 -40.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.877 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 84.5 m-20 -60.12 -52.92 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.33 -36.24 82.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 116' ' ' PHE . 23.5 mm -59.83 -45.65 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.98 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.8 p -62.52 -25.41 68.02 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.809 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.1 mm-40 -71.12 -56.67 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.36 -49.69 60.97 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.395 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.7 t -56.51 -46.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.7 m -67.13 -39.9 86.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -49.94 64.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.661 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.55 -39.28 93.48 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 111.291 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.642 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.32 4.83 3.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.544 2.162 . . . . 0.0 112.515 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.568 ' HB2' HD12 ' A' ' 66' ' ' LEU . 15.8 m95 -106.78 7.11 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -71.08 -18.01 62.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.284 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -145.75 123.18 6.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.593 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.61 -35.61 77.95 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.072 2.515 . . . . 0.0 112.312 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.21 -37.73 95.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.765 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.44 -44.92 63.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.16 76.69 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.383 0.427 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.4 -52.81 62.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.441 ' HB3' HG22 ' A' ' 108' ' ' THR . 11.8 m-80 -61.42 -43.24 99.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.443 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.74 -51.73 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.946 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 24' ' ' MET . 10.9 mmt -59.4 -50.0 75.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -58.28 -37.83 75.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.367 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -75.01 -39.47 61.14 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.072 0.463 . . . . 0.0 110.539 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.505 ' CE1' HD12 ' A' ' 27' ' ' LEU . 31.1 t80 -60.63 -56.78 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.431 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 20' ' ' MET . 23.1 ptm -58.42 -44.23 89.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 14.3 mm-40 -72.85 -38.31 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.389 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 -35.5 74.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.752 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -70.25 -34.43 72.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 0.0 110.325 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.4 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 42.7 m -65.5 -17.12 64.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.159 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.5 t -91.64 -11.5 36.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.37 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.0 mtt -91.41 150.78 41.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.8 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.12 165.13 33.55 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.576 2.184 . . . . 0.0 112.553 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.84 -20.09 49.43 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.017 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 93' ' ' LYS . 82.3 m-85 -123.34 151.07 42.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.121 0.486 . . . . 0.0 111.029 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -112.81 160.35 18.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.636 171.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.84 47.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 111.234 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -62.15 -29.4 70.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 73.6 mt-30 -85.09 -43.56 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.24 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 34' ' ' THR . 1.1 mm? -66.69 -21.16 66.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.637 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.54 -46.27 80.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.623 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' O ' HG13 ' A' ' 44' ' ' ILE . 35.6 t70 -74.03 -36.87 64.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.247 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.5 mtt -59.4 -34.16 72.11 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -58.86 -45.48 90.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 109.861 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.563 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 93.9 m -67.54 -42.35 82.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.171 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 40' ' ' ASP . 73.7 mt -57.76 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.45 73.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.187 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.64 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.26 -33.2 75.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -175.267 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.429 ' CA ' HE21 ' A' ' 46' ' ' GLN . 14.0 t -84.22 -34.35 23.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.561 0.219 . . . . 0.0 111.283 -176.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.22 -45.9 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 0.0 109.974 -178.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.33 -45.2 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.171 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 63.2 mm-40 -64.0 -32.01 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -61.98 -40.87 97.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.205 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -77.53 -32.5 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.525 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -73.14 -25.0 60.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.884 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 tt . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.465 0.293 0 CA-C-O 120.658 0.266 . . . . 0.0 111.621 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 -39.91 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.071 0.462 . . . . 0.0 110.702 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -71.85 -22.63 61.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.305 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.44 4.7 26.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.31 -34.13 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.072 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.482 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 85.8 mt -66.7 -27.83 67.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.008 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -66.8 -41.27 87.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.812 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -79.77 -20.25 46.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 110.316 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.79 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.096 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -70.29 -26.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.218 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.24 81.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.0 t -67.3 -30.29 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -70.96 -44.02 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.998 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 mtm -71.77 -24.22 61.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.74 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.73 72.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.188 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.12 -38.57 79.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.106 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 62.4 mt -74.79 -42.67 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.724 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.29 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.214 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 0.0 111.242 178.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.438 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.209 0 CA-C-O 120.903 0.382 . . . . 0.0 110.461 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -49.26 -52.01 30.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.022 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -67.93 -40.25 83.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.1 0.476 . . . . 0.0 110.814 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 6.1 mttt -58.61 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.507 -174.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.438 HG23 ' CD2' ' A' ' 90' ' ' LEU . 2.5 p -61.19 -40.75 95.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.707 0.289 . . . . 0.0 111.379 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 m -60.5 -44.23 96.2 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.6 m -68.77 -45.37 71.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.5 mt -56.63 -47.68 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.023 0.44 . . . . 0.0 110.829 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.62 76.9 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.621 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m -68.76 -38.55 80.17 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.49 86.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.282 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.59 -39.4 91.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 112' ' ' VAL . 33.0 t -59.22 -47.41 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.489 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -66.77 -44.54 81.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.11 71.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.95 -176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -77.39 -16.87 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.961 0.41 . . . . 0.0 110.971 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' HG21 ' A' ' 112' ' ' VAL . 19.4 mt -73.91 -30.84 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.42 174.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.48 -37.72 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.176 0.512 . . . . 0.0 110.462 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 18' ' ' ASN . 36.2 p -75.75 -60.36 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.478 -173.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.0 t -114.37 -30.26 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.209 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.27 -14.76 58.12 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.062 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 109' ' ' THR . 4.7 t -118.62 120.46 64.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 105' ' ' PHE . 2.9 t -114.88 151.2 16.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.924 0.392 . . . . 0.0 110.763 -177.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.442 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 52.6 t-20 -92.35 104.44 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.058 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.421 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 27.5 tp60 -65.01 -54.61 33.02 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.978 -175.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.442 ' HG2' ' OD1' ' A' ' 113' ' ' ASN . 3.0 Cg_endo -51.43 -39.76 63.6 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.237 1.958 . . . . 0.0 112.517 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.512 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.0 t80 -53.53 -53.28 53.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.507 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 112' ' ' VAL . 79.3 mt -59.81 -41.08 84.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.093 -178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.53 -49.37 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.075 0.464 . . . . 0.0 110.335 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 32.8 tt0 -58.71 -37.83 76.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 116' ' ' PHE . 22.0 mm -60.4 -51.47 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.121 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -60.71 -32.4 71.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.163 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.1 -39.5 65.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.621 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 85.7 mt -61.99 -51.88 66.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.286 175.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.4 t -54.75 -48.22 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.574 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.7 t -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -48.04 77.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -176.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.83 -36.62 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.322 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 21.8 Cg_exo -65.61 2.68 1.46 Allowed 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.081 2.521 . . . . 0.0 113.104 -176.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.559 ' HB2' HD22 ' A' ' 66' ' ' LEU . 8.2 m95 -93.5 1.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.614 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 p -59.76 -36.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -128.31 132.72 24.51 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.538 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.83 -32.22 96.78 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.48 2.12 . . . . 0.0 111.926 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.54 87.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.935 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.46 -38.44 91.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.435 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.08 -50.53 72.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.431 ' HB3' HG22 ' A' ' 108' ' ' THR . 0.9 OUTLIER -60.92 -48.97 79.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.942 -176.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -58.89 -48.76 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 7.8 mmt -60.02 -43.88 94.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.17 -42.9 75.26 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.649 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -68.6 -37.09 79.53 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.819 0.342 . . . . 0.0 110.652 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 53.2 t80 -62.74 -52.56 62.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.253 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.2 ttm -54.87 -52.55 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.48 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.81 -44.6 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.057 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.99 -23.56 74.42 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.481 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.506 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.5 tp -78.46 -26.48 46.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.93 0.395 . . . . 0.0 110.016 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -73.38 -14.02 61.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.065 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -89.43 -3.39 58.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.506 ' HG3' HD12 ' A' ' 27' ' ' LEU . 21.7 mmt -91.22 147.41 35.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.32 -17.31 24.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.152 2.568 . . . . 0.0 113.036 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.48 82.74 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.553 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' A' ' 93' ' ' LYS . 91.7 m-85 -114.1 157.44 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.096 0.474 . . . . 0.0 111.896 -173.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.46 154.69 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.85 51.61 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -60.57 -29.99 69.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -79.27 -33.45 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.219 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.7 -27.03 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.0 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.98 -37.78 88.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.54 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.62 -40.48 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.2 mtt -60.65 -21.13 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.02 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 t -60.46 -37.25 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 109.71 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 70.2 m -68.94 -43.54 74.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.571 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.32 -43.07 92.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.084 0.469 . . . . 0.0 109.953 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.26 -53.86 53.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.85 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.3 pt20 -64.75 -39.4 93.56 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.404 -175.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 t -63.13 -45.79 90.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.44 -43.07 95.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.779 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 45' ' ' ALA . 88.8 t -63.01 -53.3 48.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.207 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.46 -26.97 68.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 111.216 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -64.35 -33.23 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.88 -32.88 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -54.09 -46.28 72.03 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 p -74.01 -43.46 57.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.02 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.2 tp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.646 -176.745 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 . . . . . 0 N--CA 1.462 0.125 0 CA-C-O 120.894 0.378 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 47.8 mmtt -62.37 -44.27 96.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 10' ' ' TRP . 12.7 mt -69.01 -27.83 66.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -88.85 3.4 51.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.11 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.67 -42.29 3.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.508 . . . . 0.0 109.834 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.8 mt -65.36 -26.62 68.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.31 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -69.38 -35.71 76.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 110.918 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtm -85.29 -28.24 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.73 -58.6 7.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.89 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.486 ' O ' ' HG3' ' A' ' 77' ' ' MET . 17.2 p90 -67.61 -31.04 70.8 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.419 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.3 96.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.508 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.11 -41.11 97.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.388 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 m -65.21 -41.7 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.9 mtm -74.22 -24.81 59.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.046 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.03 80.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.797 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.09 -36.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.437 0.637 . . . . 0.0 110.124 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.13 -28.16 69.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.407 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.394 179.157 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.2 tt . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.37 0.128 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.115 0.483 . . . . 0.0 110.48 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -79.95 -34.6 38.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.983 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 40.3 mmtm -54.1 -60.34 3.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.706 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 p -61.57 -40.58 95.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.418 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -35.07 77.75 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 m -70.9 -45.5 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.328 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.59 -50.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.209 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.506 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -55.26 -54.05 48.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.443 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -64.45 -39.09 93.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.256 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.69 -46.98 73.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 110.589 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.421 ' OG ' HD13 ' A' ' 117' ' ' ILE . 27.6 m -52.43 -53.28 47.34 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.7 t30 -64.7 -39.03 92.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.641 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.12 60.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 112' ' ' VAL . 3.1 t80 -71.64 -17.27 62.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.977 -174.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.19 -20.1 60.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.675 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.2 mm-40 -91.1 -29.42 17.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 18' ' ' ASN . 34.8 p -78.12 -57.91 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.852 -175.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.6 t -119.59 -23.46 6.57 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.384 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.38 -12.7 56.99 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.275 -0.964 . . . . 0.0 113.538 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 109' ' ' THR . 23.6 t -128.13 130.91 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 105' ' ' PHE . 2.0 t -123.07 164.86 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 116' ' ' PHE . 2.5 m-80 -100.12 134.08 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.938 -175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 22.0 tp60 -66.13 -50.66 49.79 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.694 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 23.5 Cg_exo -64.29 -34.26 56.33 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.778 1.652 . . . . 0.0 112.276 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 113' ' ' ASN . 75.2 t80 -58.26 -55.53 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.548 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.483 HD11 HG11 ' A' ' 112' ' ' VAL . 43.3 mt -64.88 -37.02 79.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -175.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -66.13 -47.87 72.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.135 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.659 ' O ' HD22 ' A' ' 123' ' ' LEU . 2.7 tp10 -56.17 -51.45 67.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.17 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.8 mm -55.27 -47.73 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.506 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.5 p -59.91 -28.53 67.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 126' ' ' MET . 28.2 mt-30 -72.18 -49.8 32.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.8 -52.89 61.24 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.336 175.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.0 t -52.32 -45.92 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 123.333 0.395 . . . . 0.0 111.063 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.9 m -65.1 -45.95 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 32.3 mmt -61.95 -50.62 71.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.08 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.44 -31.94 73.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.457 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.185 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.521 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.09 -2.82 7.99 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.238 1.959 . . . . 0.0 112.387 174.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 13.2 m95 -102.9 1.8 34.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -3.51 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 111.463 -177.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.2 135.09 8.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.51 -33.2 29.71 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.285 -174.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.95 67.04 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 15' ' ' LEU . 39.2 mt -67.4 -38.14 84.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.983 -0.108 . . . . 0.0 110.743 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.69 -53.11 60.6 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.46 0.475 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.317 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HB3' HG22 ' A' ' 108' ' ' THR . 15.5 m-80 -68.59 -43.87 75.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.687 0.28 . . . . 0.0 110.507 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.78 -51.42 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.39 174.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mmt -58.23 -44.69 88.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.904 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -65.96 -46.49 77.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.297 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -63.64 -37.36 87.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.244 0.545 . . . . 0.0 110.42 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.14 -56.81 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.573 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -61.91 -46.35 89.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.824 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -67.66 -36.21 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -74.76 -34.09 54.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.052 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -74.89 -30.67 61.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.932 0.396 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 t -64.82 -17.04 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -101.97 0.59 35.49 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.442 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 65.4 mtt -94.85 150.57 38.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.65 0.262 . . . . 0.0 110.787 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.97 167.99 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 123.01 2.473 . . . . 0.0 112.73 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 -43.52 2.49 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.466 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -91.45 150.68 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.243 0.545 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -111.83 156.69 21.6 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.22 -33.8 54.42 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -57.42 -43.75 84.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 17.8 mp0 -65.17 -38.9 91.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.3 mm? -69.22 -27.92 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.63 -41.03 93.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 109.697 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.69 -42.63 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.746 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 mtt -63.54 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.714 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.9 m -63.55 -42.9 98.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.503 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.55 -41.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.16 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.85 -17.63 63.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.222 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.54 -57.92 2.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 110.732 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 6.2 t -67.59 -35.41 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.779 -170.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.2 mmm -64.74 -43.61 92.81 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.257 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 70.8 t -67.18 -46.45 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.213 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.1 pt20 -59.86 -36.17 76.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 110.796 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -63.21 -39.26 94.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.206 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -80.0 -22.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.596 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.9 mm-40 -66.66 -49.7 65.33 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -66.71 -26.65 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.098 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.5 tt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.074 175.826 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.464 0.236 0 CA-C-O 120.665 0.269 . . . . 0.0 111.379 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.32 -41.3 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.0 110.364 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.552 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.2 mm? -70.41 -25.02 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.259 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -97.88 6.5 47.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.947 0.403 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.82 -47.2 3.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.252 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.27 -27.16 68.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.17 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.83 -29.26 23.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.65 -58.76 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.56 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.4 p90 -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.459 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.56 94.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.703 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 t -65.92 -41.46 91.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 m -66.97 -36.71 82.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.8 mtm -73.0 -28.97 62.69 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.811 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.45 -45.25 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.34 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.11 -37.14 86.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.497 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.75 -38.57 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 90' ' ' LEU . . . -66.77 -35.63 80.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.501 -178.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-O 121.161 0.505 . . . . 0.0 111.497 -178.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 tm? . . . . . 0 CA--C 1.53 0.189 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -54.36 -42.93 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -71.32 -23.76 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.416 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 29.4 mmtm -66.36 -53.56 34.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.144 0.497 . . . . 0.0 110.315 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.5 p -64.29 -39.47 94.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.728 -173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.1 m -61.23 -39.95 92.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.902 0.382 . . . . 0.0 111.251 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -69.93 -45.28 67.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 101' ' ' MET . 77.2 mt -53.73 -44.87 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.809 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.28 -50.13 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.476 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -73.8 -36.63 65.02 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -173.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.22 84.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.7 mtm -68.32 -40.36 81.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.43 ' HA ' HG11 ' A' ' 112' ' ' VAL . 8.6 t -62.28 -45.2 94.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.841 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -64.38 -36.34 83.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.928 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.43 93.98 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.613 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -65.29 -34.0 77.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.804 0.335 . . . . 0.0 111.433 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.406 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 82.5 mt -74.38 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.539 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.8 mm-40 -85.4 -31.14 23.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.53 176.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 18' ' ' ASN . 17.1 p -88.31 -65.76 0.98 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.461 -172.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.4 t -115.42 -18.03 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.68 0.276 . . . . 0.0 111.402 -175.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.11 66.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.91 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 109' ' ' THR . 2.6 p -133.17 127.22 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.205 0.526 . . . . 0.0 110.661 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 117' ' ' ILE . 4.2 t -110.92 145.68 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.857 -176.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.49 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.9 t30 -104.39 108.22 19.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.465 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.3 tp60 -69.95 -47.91 22.06 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.526 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 76.4 Cg_exo -52.2 -32.91 52.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 122.145 1.897 . . . . 0.0 112.424 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.8 t80 -62.03 -50.58 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.547 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.514 HD11 ' CG1' ' A' ' 112' ' ' VAL . 58.0 mt -64.89 -41.38 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.594 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.92 -47.41 85.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.259 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 7.6 tp10 -55.48 -50.51 69.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.188 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.4 mm -61.48 -47.36 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.794 -176.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 28.0 p -59.1 -30.46 68.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.522 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.98 -47.93 19.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.911 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -55.79 -52.4 64.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.249 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.7 t -57.89 -45.06 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.004 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -63.38 -31.7 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.321 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.4 mmt -80.99 -49.78 10.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.054 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.44 -33.69 74.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.165 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 111.17 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 13.58 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.54 2.16 . . . . 0.0 113.399 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.507 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 26.8 m95 -108.77 9.91 26.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.796 0.332 . . . . 0.0 110.621 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -68.16 -33.45 74.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.111 0.481 . . . . 0.0 111.382 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -125.15 135.77 27.28 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.825 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.43 -41.31 77.52 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.432 2.088 . . . . 0.0 111.637 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.64 97.16 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.16 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 15' ' ' LEU . 29.3 mt -67.06 -38.14 85.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 122.526 -0.396 . . . . 0.0 110.657 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.119 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB3' HG11 ' A' ' 49' ' ' VAL . 12.7 pt-20 -65.09 -39.42 93.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.59 0.233 . . . . 0.0 110.882 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.508 ' HB3' HG22 ' A' ' 108' ' ' THR . 82.4 m-20 -67.92 -44.71 76.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.796 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.97 -50.66 70.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.117 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.5 mmt -59.66 -47.37 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.827 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.78 -48.85 79.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.529 0.204 . . . . 0.0 111.171 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.36 -40.09 93.13 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.49 -52.74 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.243 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.518 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 43.0 ttp -56.81 -51.77 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.499 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -68.94 -40.47 78.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.173 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -36.33 91.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.892 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.3 tp -69.29 -27.03 65.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.463 . . . . 0.0 110.6 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -69.13 -19.89 64.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -95.06 -5.27 44.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.648 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.444 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.1 mmt -84.62 143.33 40.91 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.32 149.75 45.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.217 1.945 . . . . 0.0 111.278 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.31 -28.82 10.97 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.55 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -100.42 169.56 9.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -137.37 159.71 41.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.089 -175.199 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -43.01 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 t -59.48 -32.67 70.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.389 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 2.9 mp0 -83.93 -29.37 27.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.298 0.57 . . . . 0.0 110.863 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 34' ' ' THR . 72.2 mt -72.75 -20.09 61.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.144 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.92 -48.92 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.428 176.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.77 -39.71 87.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.814 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -55.24 -39.87 70.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.518 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 10.3 t -62.68 -40.23 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -63.11 -46.01 89.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.619 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.18 -43.96 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.39 55.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.956 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -94.34 -51.66 4.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 111.187 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.566 ' HA ' HE21 ' A' ' 50' ' ' GLN . 48.3 t -58.88 -48.53 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.244 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.8 -45.9 81.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.0 110.597 -175.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 17' ' ' GLU . 34.2 t -69.29 -23.76 27.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.045 -174.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' A' ' 47' ' ' SER . 37.8 mt-30 -58.65 -31.13 67.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.4 t -63.38 -49.86 72.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.48 -30.11 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.767 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -62.88 -46.66 86.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.226 0.536 . . . . 0.0 110.493 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -76.63 -41.54 45.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.153 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.114 -175.564 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.633 0.254 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -64.03 -32.64 74.26 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.145 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -67.31 -21.01 65.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.795 0.331 . . . . 0.0 111.047 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -101.27 5.76 42.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.61 -41.99 3.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.931 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.495 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 94.3 mt -65.63 -28.77 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.374 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -65.07 -39.82 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -83.04 -26.91 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.45 -60.77 3.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.77 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.42 ' O ' ' HG3' ' A' ' 77' ' ' MET . 11.9 p90 -70.38 -25.91 63.46 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.49 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.71 89.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -67.19 -37.34 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.376 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -67.92 -45.63 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.1 mtm -68.1 -24.89 65.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.209 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -67.75 -32.63 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.157 0.503 . . . . 0.0 109.921 -178.626 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.512 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 78.8 mt -69.1 -48.22 70.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.487 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.46 94.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.435 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.376 -178.306 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 17.7 mt . . . . . 0 C--O 1.235 0.32 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 t -54.83 -40.09 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.484 0.49 . . . . 0.0 111.183 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 m -99.73 -19.75 16.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.087 0.47 . . . . 0.0 110.908 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 90' ' ' LEU . 47.6 mmtm -64.02 -49.74 71.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.152 0.501 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -69.59 -40.93 76.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.694 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -60.63 -45.02 95.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.824 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -66.57 -41.18 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.74 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.8 mt -55.61 -53.67 34.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 120.968 0.414 . . . . 0.0 110.603 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.431 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -54.66 -49.29 70.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -68.32 -40.79 81.52 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.33 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.6 mtm -66.05 -43.02 88.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.154 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -56.18 -46.49 79.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.223 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.2 t30 -68.48 -46.09 70.64 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.32 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -43.16 94.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 0.0 110.32 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.94 -36.0 77.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.239 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -76.78 -16.72 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.606 0.241 . . . . 0.0 111.64 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 18' ' ' ASN . 21.8 p -100.71 -55.27 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.1 t -116.46 -17.06 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.421 . . . . 0.0 110.872 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.15 -17.64 58.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.91 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 109' ' ' THR . 25.0 t -110.61 136.23 47.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG2' HD11 ' A' ' 117' ' ' ILE . 11.6 p -117.33 146.9 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.829 0.347 . . . . 0.0 110.259 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.407 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.7 t-20 -106.03 104.29 13.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.271 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.524 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.1 tp60 -66.21 -50.09 51.77 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.227 -176.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 76.5 Cg_exo -52.01 -41.84 61.86 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.843 1.695 . . . . 0.0 112.256 174.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.473 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.5 t80 -56.38 -49.07 75.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.216 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.434 HD11 ' CG2' ' A' ' 112' ' ' VAL . 79.5 mt -64.53 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.242 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.22 -40.74 86.42 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.171 0.51 . . . . 0.0 110.108 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 45.2 tt0 -60.96 -48.21 82.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.2 mm -59.83 -50.68 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.014 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 4.1 p -59.16 -36.64 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 111.241 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -72.67 -39.49 67.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.2 mt -59.76 -49.49 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.364 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 120' ' ' ILE . 88.2 t -58.25 -39.57 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 m -60.94 -48.85 79.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -45.06 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -70.03 -15.05 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 0.0 110.571 177.195 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.641 -0.133 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.05 -2.03 12.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.462 2.108 . . . . 0.0 113.164 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 18.4 m95 -98.05 6.09 47.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 p -66.83 -27.67 67.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.103 0.478 . . . . 0.0 111.876 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.97 130.68 17.65 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -56.08 -40.04 87.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.419 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.78 99.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.715 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 15' ' ' LEU . 25.2 mt -66.27 -42.0 89.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.72 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.318 0.387 . . . . 0.0 110.714 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.48 -54.06 51.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.639 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.495 ' HB3' HG22 ' A' ' 108' ' ' THR . 17.9 m-80 -60.75 -44.25 96.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.301 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -58.84 -52.68 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.625 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.432 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 6.5 mmt -60.36 -48.77 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.87 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.33 93.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -177.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -67.46 -27.92 67.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.157 0.503 . . . . 0.0 110.578 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -69.56 -56.12 8.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.615 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.664 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.3 ppp? -66.97 -41.14 87.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.754 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.664 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 14.8 mm100 -71.25 -28.43 64.16 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.258 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -80.02 -38.74 18.28 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.76 -34.95 79.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.787 -0.706 . . . . 0.0 111.31 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.514 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 m -68.09 -11.11 58.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.183 0.516 . . . . 0.0 110.843 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -102.35 -5.31 24.33 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.571 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.6 mtt -100.26 145.21 29.86 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.506 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.7 153.12 69.59 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.338 2.025 . . . . 0.0 112.062 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.06 -28.88 10.37 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.461 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -108.5 129.13 55.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.148 0.499 . . . . 0.0 111.194 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.525 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -90.9 158.04 16.99 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.23 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -38.5 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 111.289 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -63.39 -23.59 67.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.502 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -85.27 -41.4 15.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.903 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -66.45 -28.32 68.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.225 176.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.5 -43.72 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.024 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.33 -38.22 63.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 mtt -59.71 -33.53 71.73 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.894 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 t -59.8 -39.47 85.08 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.072 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.7 m -63.66 -45.46 90.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.94 -46.96 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -51.93 -58.46 6.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.774 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -58.87 -48.17 82.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.025 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.637 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 9.5 t -65.34 -34.96 79.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.769 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.7 mmm -65.88 -44.17 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.972 0.415 . . . . 0.0 110.207 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 45' ' ' ALA . 63.5 t -64.75 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.046 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -62.5 -32.21 73.08 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.663 -175.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.94 -41.77 74.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.449 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.2 -32.07 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -63.62 -55.15 25.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 m -58.53 -38.67 78.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.177 0.513 . . . . 0.0 110.834 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.724 178.284 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.9 m120 . . . . . 0 C--O 1.228 -0.035 0 CA-C-O 120.853 0.359 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 22.0 mmmt -62.46 -39.23 92.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.16 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.32 -25.69 67.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.248 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 3.51 33.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.896 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.58 -36.63 7.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 109.483 173.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 96.4 mt -61.3 -29.21 69.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.617 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -70.55 -26.4 63.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.0 mtm -86.08 -29.64 23.22 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.43 -54.55 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.749 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.9 p90 -71.68 -27.51 63.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.372 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.88 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.3 t -63.54 -39.94 95.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -71.11 -36.94 72.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.4 mtm -74.26 -22.92 59.1 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.876 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.53 77.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.93 -33.72 74.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.28 0.562 . . . . 0.0 110.691 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.44 -45.76 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.874 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.59 -28.69 67.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.325 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 111.301 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 CA--C 1.527 0.062 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -54.33 -46.33 72.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.016 0.436 . . . . 0.0 111.473 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -84.15 -14.17 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.396 0.617 . . . . 0.0 110.668 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -79.52 -61.05 2.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.281 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.0 p -63.11 -37.29 86.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.917 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -57.86 -42.12 83.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.451 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.1 m -73.5 -41.64 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.68 -50.51 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.095 0.474 . . . . 0.0 110.884 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.98 90.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.462 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.4 m -75.26 -36.88 61.18 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.229 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.04 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.138 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.1 mtm -66.28 -40.08 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.476 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 26.2 t -58.82 -51.5 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.9 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.42 -38.74 88.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.84 95.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.399 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 112' ' ' VAL . 10.2 m-85 -62.48 -43.94 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 102' ' ' SER . 81.0 mt -66.5 -26.97 67.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.374 -176.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -88.34 -20.36 25.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.639 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 18' ' ' ASN . 12.0 p -90.86 -66.22 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.8 t -117.13 -2.98 11.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 0.0 110.257 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.44 -22.07 28.99 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.18 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 t -108.07 136.58 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 117' ' ' ILE . 14.2 p -108.61 150.97 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.353 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -104.25 95.58 6.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 0.0 110.072 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.533 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.5 tp60 -61.4 -50.2 84.17 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.036 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.0 Cg_endo -52.39 -39.58 73.11 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.34 2.027 . . . . 0.0 112.55 177.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.3 t80 -58.11 -50.37 73.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 112' ' ' VAL . 63.7 mt -64.1 -37.25 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.879 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 68.2 m-20 -65.18 -33.07 75.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.427 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.25 -44.04 54.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.5 mm -63.51 -39.6 85.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.555 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.9 p -61.63 -22.67 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.012 0.434 . . . . 0.0 111.286 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 126' ' ' MET . 61.0 mt-30 -81.06 -53.28 6.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.0 mt -53.03 -51.71 60.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.71 -44.51 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 0.0 110.691 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 m -69.43 -29.68 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 33.2 mmt -75.04 -47.78 27.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.715 0.293 . . . . 0.0 110.96 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -70.62 -29.75 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.811 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.392 0.139 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.87 -23.81 73.79 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.789 2.326 . . . . 0.0 113.036 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.4 m95 -84.56 4.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.503 -173.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -65.42 -26.9 68.18 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -135.06 134.12 21.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.16 -36.71 93.78 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.484 2.123 . . . . 0.0 111.984 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.41 93.24 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.231 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.57 -41.5 72.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.82 92.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.758 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.68 -49.13 78.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.417 ' HB3' HG22 ' A' ' 108' ' ' THR . 9.1 m-80 -63.03 -49.62 73.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.096 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -55.14 -54.98 36.3 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.862 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 8.7 mmt -57.11 -44.45 83.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.038 -177.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -66.43 -49.9 65.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.047 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 m -62.7 -30.41 71.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.236 0.541 . . . . 0.0 110.613 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -69.22 -55.89 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.559 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -63.97 -39.27 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.68 -19.68 61.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.028 0.442 . . . . 0.0 111.588 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -90.64 -39.87 5.79 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 27' ' ' LEU . 7.8 mt -65.09 -34.11 77.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.892 -0.654 . . . . 0.0 111.93 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.12 -8.46 31.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.212 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -107.23 -5.11 18.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.521 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 55.3 mtt -97.22 145.22 29.25 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-O 120.667 0.27 . . . . 0.0 110.993 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.43 149.5 87.93 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.062 2.508 . . . . 0.0 112.863 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.62 -28.86 10.1 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.516 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE2' HD22 ' A' ' 27' ' ' LEU . 67.8 m-85 -101.29 136.56 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.449 0.642 . . . . 0.0 111.641 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -102.14 161.18 13.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.69 63.39 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 118.152 0.433 . . . . 0.0 112.152 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -59.69 -40.48 88.02 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.957 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.454 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 15.8 mp0 -65.57 -46.85 77.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.92 -23.81 64.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.666 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.23 -46.64 85.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 110.233 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD2' HD11 ' A' ' 80' ' ' ILE . 23.2 t70 -72.26 -43.12 64.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.15 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 mtt -58.16 -36.38 72.93 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 90.2 m -62.28 -45.34 93.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.385 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 48' ' ' MET . 73.5 mt -59.08 -47.42 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.17 -51.61 56.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.11 -57.75 11.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.344 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -35.19 79.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.691 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -66.15 -48.02 72.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 97.3 t -59.39 -45.53 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.56 -37.64 70.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -63.45 -41.71 98.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.621 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.81 -30.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.368 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 30.8 mt-30 -60.92 -49.61 76.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.316 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -65.31 -37.83 88.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.083 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 tt . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.1 178.772 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.771 0.32 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.5 mmmt -63.48 -42.49 98.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.1 mm? -66.21 -24.37 66.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.511 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 71' ' ' MET . 29.1 mm-40 -83.27 -35.8 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.651 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.62 -41.49 72.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.05 0.452 . . . . 0.0 110.236 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 90.4 mt -61.93 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.222 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 5.0 p30 -73.66 -23.61 59.87 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 35.9 mtm -84.27 -28.28 27.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.15 0.5 . . . . 0.0 110.001 176.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.4 55.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.715 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.7 p90 -74.16 -21.33 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 110.293 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.2 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.446 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 t -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.43 -43.6 76.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.972 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.2 mtm -68.6 -24.42 64.58 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.68 -0.237 . . . . 0.0 111.308 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.74 81.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.916 0.389 . . . . 0.0 111.294 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -77.45 -11.42 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.494 HD11 ' OD2' ' A' ' 40' ' ' ASP . 62.1 mt -86.94 -39.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 109.401 174.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -62.49 -28.59 69.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.088 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 179.523 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.864 0.364 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -60.82 -32.07 71.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -37.3 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.319 0.581 . . . . 0.0 110.028 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.3 mptt -71.39 -52.19 19.99 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -60.77 -41.69 95.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -62.0 -36.41 81.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.521 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 40.4 m -71.95 -43.98 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.302 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.7 -44.88 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -57.61 -47.36 82.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.373 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -72.38 -38.87 68.38 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.044 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.1 80.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 36.0 mtm -69.48 -35.76 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.486 ' O ' HG21 ' A' ' 112' ' ' VAL . 22.6 t -60.02 -42.5 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.229 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -77.34 -33.28 55.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.356 178.097 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.61 81.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -3.2 54.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.21 0.528 . . . . 0.0 111.069 -174.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 mt -84.1 -15.26 47.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.094 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -92.82 -3.54 54.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.645 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 18' ' ' ASN . 37.0 p -104.47 -73.27 0.68 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 111.966 -176.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.0 t -109.57 -20.46 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.22 0.533 . . . . 0.0 110.128 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.15 6.62 53.51 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.669 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.43 138.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 102' ' ' SER . 2.4 t -119.13 153.01 21.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.529 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 59.3 t30 -95.69 107.28 19.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.216 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.464 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -64.97 -47.64 73.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.8 Cg_exo -51.47 -39.92 63.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.033 1.822 . . . . 0.0 112.016 175.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.6 t80 -56.37 -53.55 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 112' ' ' VAL . 62.6 mt -61.14 -38.84 80.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -64.52 -52.12 59.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 12.2 tp10 -60.54 -36.96 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 116' ' ' PHE . 24.5 mm -63.19 -48.34 88.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.128 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 98' ' ' ALA . 39.9 p -62.13 -29.44 70.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.185 0.516 . . . . 0.0 110.468 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -65.99 -58.12 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.879 175.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -54.82 -51.21 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.817 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.4 t -55.62 -45.65 79.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.655 0.264 . . . . 0.0 111.306 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 m -67.07 -34.22 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.935 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.409 ' HA ' ' CE ' ' A' ' 126' ' ' MET . 0.0 OUTLIER -78.41 -48.39 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 -177.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.39 -39.62 93.83 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.327 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.494 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.445 -0.713 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD2' HG22 ' A' ' 8' ' ' THR . 29.7 Cg_exo -63.26 -4.15 6.09 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 122.82 2.346 . . . . 0.0 114.189 -173.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HB2' HD13 ' A' ' 66' ' ' LEU . 4.6 m95 -97.1 12.67 31.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 110.459 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 p -63.29 -21.15 66.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 111.635 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -154.15 129.45 5.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.4 -38.37 52.89 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.157 2.571 . . . . 0.0 112.88 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -41.62 94.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.927 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 15' ' ' LEU . 20.5 mt -67.87 -40.32 83.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.004 -0.115 . . . . 0.0 110.879 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.49 90.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 110.759 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.34 -48.74 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.49 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -62.67 -40.92 98.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.243 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.24 -53.65 55.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.789 176.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.22 -43.33 92.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.529 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -62.52 -45.98 90.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.44 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 m -68.61 -32.11 71.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.0 110.566 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.63 -55.3 21.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.769 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 ptm -61.3 -39.6 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 14.6 mm100 -70.04 -43.95 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.736 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -70.15 -34.41 69.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.662 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -68.42 -12.73 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.334 0.588 . . . . 0.0 110.2 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -96.83 -1.8 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.383 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 42.8 mtt -103.52 154.96 37.48 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 122.267 -0.271 . . . . 0.0 110.89 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.25 155.85 33.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.6 2.2 . . . . 0.0 112.404 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.55 -35.27 4.82 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -102.56 148.04 26.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.225 0.536 . . . . 0.0 111.611 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.74 170.2 9.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.21 176.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.12 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -61.0 -25.01 66.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.562 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -97.06 -41.3 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.32 0.581 . . . . 0.0 110.512 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' MET . 93.6 mt -67.09 -21.3 65.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.011 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.51 -37.56 78.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.635 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.63 -37.39 25.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.01 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.437 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 18.4 mmt -54.7 -43.99 73.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -33.37 74.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.302 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.2 m -69.87 -45.55 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.7 -47.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.443 . . . . 0.0 110.016 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.23 77.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.83 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' THR . 7.4 pt20 -82.73 -37.55 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.705 0.288 . . . . 0.0 111.296 -175.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -85.68 -38.15 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.2 -46.93 88.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.75 0.31 . . . . 0.0 110.534 -175.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.2 t -56.56 -33.35 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.52 -33.36 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.835 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.0 p -63.83 -40.83 97.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.093 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.4 mt -75.05 -31.88 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.366 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -60.09 -47.83 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -74.36 -32.4 62.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.357 -177.88 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 C--O 1.227 -0.106 0 CA-C-O 121.019 0.438 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -66.37 -37.5 85.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.226 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.61 -33.68 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -95.89 4.09 53.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.43 -40.25 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.156 174.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 96.3 mt -71.18 -26.87 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.489 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -69.66 -26.35 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtm -86.06 -27.45 24.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -57.0 14.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.752 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.6 p90 -70.24 -29.3 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.376 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.02 83.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.528 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -63.76 -28.76 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -80.13 -45.34 18.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.01 0.433 . . . . 0.0 110.211 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 46.1 mtm -67.41 -25.32 65.87 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.455 ' HA ' HG13 ' A' ' 124' ' ' VAL . . . -54.41 -45.55 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.524 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.87 -34.28 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.9 mt -71.13 -40.15 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.486 0.66 . . . . 0.0 110.097 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.97 -38.81 92.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.523 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 111.461 -179.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.6 OUTLIER . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.291 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 m -53.12 -52.01 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.855 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.8 m -73.47 -32.49 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.699 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 9.9 mmmm -59.58 -50.01 75.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.533 -173.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.431 HG23 ' CD2' ' A' ' 90' ' ' LEU . 21.9 p -66.57 -37.4 84.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -61.58 -45.49 93.9 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.631 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 p -65.72 -39.95 91.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 101' ' ' MET . 82.0 mt -60.18 -45.69 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.999 0.428 . . . . 0.0 110.441 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.414 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.14 -50.36 73.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m -68.28 -38.04 81.29 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.217 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 32.2 mtm -65.51 -42.94 91.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.808 0.337 . . . . 0.0 110.46 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -57.8 -54.21 49.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.09 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.6 t30 -60.53 -37.12 80.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.188 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.68 68.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.779 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.472 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.1 OUTLIER -74.74 -21.84 59.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.032 -174.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.82 -27.86 65.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.364 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 83.9 mm-40 -84.73 -23.59 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.018 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.472 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 37.2 p -89.95 -59.17 2.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.4 t -115.19 -23.99 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.092 0.472 . . . . 0.0 110.916 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.64 -19.91 40.65 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.042 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 109' ' ' THR . 33.6 t -126.68 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.527 HG11 HD11 ' A' ' 117' ' ' ILE . 1.4 t -106.7 -143.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.529 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 36.8 t30 -158.99 105.24 1.75 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 20.8 tp60 -64.44 -49.16 73.02 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.978 -171.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.529 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 43.3 Cg_exo -58.51 -21.48 54.6 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.841 1.694 . . . . 0.0 112.633 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.421 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 35.7 t80 -74.38 -52.43 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 110.416 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.527 HD11 HG11 ' A' ' 112' ' ' VAL . 63.0 mt -61.45 -39.67 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.341 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.776 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 33.1 tt0 -83.14 -42.01 17.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' VAL . 30.7 mm -65.27 -44.45 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.003 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 13.2 p -57.59 -34.54 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.127 0.489 . . . . 0.0 110.789 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 126' ' ' MET . 48.8 mt-30 -71.81 -45.53 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.419 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 99.3 mt -57.66 -49.89 75.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.455 HG13 ' HA ' ' A' ' 78' ' ' ALA . 96.2 t -57.44 -50.67 76.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.8 m -64.98 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.131 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -73.95 -55.64 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.692 -177.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -62.65 -33.76 75.71 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 111.397 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.32 -15.21 48.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.54 2.16 . . . . 0.0 112.962 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.407 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.9 m95 -98.82 5.62 47.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.123 -175.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.17 -16.3 60.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.054 0.454 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -146.12 124.47 6.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.84 -40.34 85.65 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.044 2.496 . . . . 0.0 112.751 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.31 89.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.682 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.97 -48.96 66.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.43 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.16 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.41 -46.39 88.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.439 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.426 ' HB3' HG22 ' A' ' 108' ' ' THR . 10.0 m-80 -64.32 -41.46 96.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.048 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.1 -55.41 25.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.502 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.7 mtp -68.87 -31.9 71.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.488 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -69.16 -44.47 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.205 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 m -66.84 -37.2 84.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.102 0.477 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.25 -50.35 73.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.235 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.6 ttm -56.4 -55.22 36.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.838 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 13.8 mm-40 -65.03 -40.71 95.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.547 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.91 -37.62 83.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.157 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.65 -33.89 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.96 0.409 . . . . 0.0 110.794 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 t -66.01 -18.71 65.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -95.12 -1.23 52.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.2 mtt -100.3 153.06 37.96 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.601 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.26 159.03 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.622 2.215 . . . . 0.0 112.382 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 106.74 -35.48 5.01 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.816 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -103.49 146.36 28.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.412 0.625 . . . . 0.0 111.906 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.491 ' O ' HD22 ' A' ' 38' ' ' LEU . 1.9 m -111.16 162.73 14.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.179 177.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.23 56.6 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.39 -45.75 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.496 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.422 ' NE2' ' H ' ' A' ' 34' ' ' THR . 41.8 mt-30 -65.66 -45.83 81.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.422 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -64.43 -28.76 69.89 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.998 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.93 -46.17 85.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.992 0.425 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.01 -33.54 61.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.115 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.89 -38.74 70.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 170.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -36.52 84.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.138 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.699 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.7 m -66.58 -45.23 79.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 176.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.48 -40.49 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.109 0.48 . . . . 0.0 110.155 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -12.17 61.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.262 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.1 pt20 -100.57 -45.93 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.512 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -70.62 -40.55 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -63.07 -49.02 76.15 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.435 . . . . 0.0 109.966 -176.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.97 -47.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.68 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 98.3 mt-30 -57.56 -33.18 67.86 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.291 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -63.99 -45.26 89.84 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.06 -29.76 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 110.543 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.94 -37.11 78.56 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.17 0.51 . . . . 0.0 110.363 175.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.0 m -83.17 -35.47 25.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.46 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -178.104 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.7 mmmt -66.24 -45.02 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.7 mm? -57.83 -37.76 74.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.967 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -76.56 -36.82 57.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.721 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 110.505 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 95.0 mt -69.45 -32.88 72.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.845 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -70.56 -25.51 63.12 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.053 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.7 mtm -86.14 -35.69 20.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.96 -56.97 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.712 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -69.88 -29.75 67.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.411 -176.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.31 89.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -67.07 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -68.4 -46.36 70.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.338 . . . . 0.0 110.385 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -69.43 -24.98 63.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.96 83.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.976 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.98 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.91 -38.66 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.432 0.634 . . . . 0.0 110.338 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -67.49 -22.23 65.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.486 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.01 177.189 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -59.52 -40.81 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.318 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 m -65.59 -39.12 91.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.088 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.4 mmtm -60.77 -53.23 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.625 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.0 p -65.45 -37.35 86.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.977 -175.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.0 m -60.11 -42.72 95.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.303 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.4 m -68.9 -44.76 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.2 mt -55.16 -47.08 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.998 0.428 . . . . 0.0 111.05 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -59.73 -40.72 88.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.462 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 m -76.97 -38.9 52.35 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.22 89.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.612 ' HE3' HG12 ' A' ' 117' ' ' ILE . 33.1 mtm -66.88 -39.3 87.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.13 177.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 112' ' ' VAL . 14.7 t -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.245 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.526 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -66.59 -39.49 88.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.48 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.512 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 25.3 m-85 -64.15 -38.46 91.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.695 0.283 . . . . 0.0 111.307 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.45 -29.28 69.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 0.0 110.628 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 69.8 mm-40 -83.99 -21.36 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.16 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 18' ' ' ASN . 10.0 p -100.05 -61.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -174.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.3 t -114.37 -9.26 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.981 0.419 . . . . 0.0 110.631 -175.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.39 84.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.024 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -136.89 137.48 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 102' ' ' SER . 58.9 t -87.64 125.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 117' ' ' ILE . 56.9 t30 -90.71 91.36 8.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.477 0.656 . . . . 0.0 109.997 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.49 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -60.89 -53.09 67.42 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.922 -170.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.85 -33.97 73.64 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.323 2.015 . . . . 0.0 112.426 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.0 t80 -64.38 -48.07 76.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.472 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.612 HG12 ' HE3' ' A' ' 101' ' ' MET . 49.7 mt -69.52 -31.21 48.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.229 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.36 -36.11 76.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.325 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.0 tp10 -72.13 -47.47 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.192 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -58.23 -43.43 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.567 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.4 p -62.08 -26.16 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.621 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -84.93 -37.65 20.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 88.6 mt -62.19 -51.19 68.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.379 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 120' ' ' ILE . 91.0 t -56.79 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.439 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 p -67.9 -42.64 80.86 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.043 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 30.2 mmt -67.74 -44.99 76.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.655 0.264 . . . . 0.0 111.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -69.91 -15.98 63.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.202 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 178.834 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.449 -0.496 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.64 -16.85 51.0 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 113.13 -176.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -90.17 5.35 47.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.074 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -77.23 -14.88 59.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.147 0.498 . . . . 0.0 110.878 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -152.19 128.13 5.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.44 -38.61 53.87 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.306 2.671 . . . . 0.0 112.122 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.79 -36.27 93.1 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.097 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 mt -76.08 -38.87 56.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.42 0.152 . . . . 0.0 110.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.13 38.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.303 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.42 -38.46 89.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 110.704 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.588 ' HB3' HG22 ' A' ' 108' ' ' THR . 1.5 m-80 -66.74 -49.67 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.138 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.49 -51.26 70.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.235 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -59.43 -43.94 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.7 m-80 -65.94 -45.36 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -62.95 -42.85 99.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.986 0.422 . . . . 0.0 110.432 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.69 -53.69 54.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.364 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 ttm -53.3 -50.53 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.655 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 30.4 mm-40 -61.64 -48.35 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.7 -40.05 85.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.235 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.2 tm? -65.4 -35.78 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.009 0.433 . . . . 0.0 109.872 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -63.6 -19.98 65.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.794 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -91.73 -7.49 49.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.011 0.434 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.464 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 59.2 mtt -96.19 145.75 30.11 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.54 -179.81 4.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.012 2.474 . . . . 0.0 113.655 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.89 -19.0 56.38 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.864 176.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -101.83 173.64 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.172 0.511 . . . . 0.0 111.107 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.555 ' HB ' ' OG ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -110.04 157.19 19.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 174.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.82 -29.59 62.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.555 ' OG ' ' HB ' ' A' ' 34' ' ' THR . 1.8 p -64.04 -38.56 91.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.673 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.548 ' HG2' ' H ' ' A' ' 34' ' ' THR . 45.1 mm-40 -65.75 -44.11 86.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.296 0.569 . . . . 0.0 111.057 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -68.17 -22.01 64.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.769 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.47 -44.97 77.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' OD2' HD11 ' A' ' 80' ' ' ILE . 19.2 t70 -71.78 -38.88 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.532 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.7 mtt -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -62.74 -39.03 92.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.049 0.452 . . . . 0.0 110.045 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.3 m -67.59 -40.99 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.735 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.52 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.13 -13.52 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.542 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -100.53 -55.26 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.788 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.591 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 8.6 t -69.25 -37.65 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.824 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -64.5 -42.14 96.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.325 0.583 . . . . 0.0 109.836 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 89.5 t -68.55 -46.94 79.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.366 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 47' ' ' SER . 4.8 pp0? -58.43 -33.25 69.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -61.36 -44.06 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.984 176.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -72.64 -36.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 11.5 mm100 -57.59 -43.48 84.67 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.159 0.504 . . . . 0.0 110.283 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 m -77.08 -36.16 56.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.797 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.109 -178.534 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 121.052 0.453 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -70.62 -34.66 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.689 -176.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.57 -35.45 80.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 110.247 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -78.34 -37.26 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.56 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.67 -47.71 65.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.964 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.6 -27.84 68.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.828 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.69 -33.7 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.9 mtm -99.22 -7.99 25.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.096 0.474 . . . . 0.0 110.706 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.45 -61.74 1.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.506 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -66.31 -25.54 66.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 0.0 110.732 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.75 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -74.7 -42.09 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -63.22 -43.45 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.417 0.627 . . . . 0.0 110.415 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mtp -70.57 -30.21 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.404 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.91 -49.4 63.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.464 0.477 . . . . 0.0 111.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -65.78 -30.68 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.214 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.498 HD11 ' OD2' ' A' ' 40' ' ' ASP . 68.8 mt -71.81 -44.28 68.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.42 0.628 . . . . 0.0 110.379 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.79 -26.97 65.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.163 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.43 0 CA-C-O 120.957 0.408 . . . . 0.0 111.023 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.47 ' HB3' HG23 ' A' ' 94' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.201 0 N-CA-C 111.523 0.194 . . . . 0.0 111.523 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -50.6 -65.96 0.47 Allowed 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.482 0.489 . . . . 0.0 111.657 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -73.43 -25.52 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.053 0.454 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 30.5 mmtm -63.48 -64.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.289 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 90' ' ' LEU . 31.3 p -63.5 -34.25 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.325 -171.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -63.74 -34.28 77.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.177 0.513 . . . . 0.0 111.33 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.464 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 39.1 m -78.11 -47.27 18.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.1 mt -48.73 -46.26 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.04 -54.39 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.447 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 m -66.39 -36.41 82.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.939 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.33 79.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.088 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.415 ' HE3' HG12 ' A' ' 117' ' ' ILE . 34.4 mtm -71.3 -38.9 71.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.332 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.9 m -56.0 -49.73 72.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -67.82 -37.89 82.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.33 97.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -29.29 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.655 0.264 . . . . 0.0 111.175 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.99 -34.93 77.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.0 110.641 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.17 4.63 47.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.797 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 18' ' ' ASN . 23.0 p -121.29 -59.36 1.72 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.808 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -109.18 -30.11 8.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.022 0.439 . . . . 0.0 110.082 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.46 35.27 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.719 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -123.54 129.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 117' ' ' ILE . 10.6 t -91.17 146.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.616 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 64.1 t30 -104.06 98.51 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.547 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.2 tp60 -64.74 -48.02 74.05 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.81 -36.99 84.46 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.408 2.072 . . . . 0.0 112.391 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.515 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.2 t80 -57.87 -53.66 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.423 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 112' ' ' VAL . 59.0 mt -63.92 -38.97 83.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.16 -177.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 96.5 m-20 -69.17 -26.03 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.245 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.69 -39.57 20.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -60.99 -43.1 95.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -59.98 -28.3 67.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.962 0.411 . . . . 0.0 111.06 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 52.0 mt-30 -72.21 -56.56 5.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.75 -50.1 69.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.866 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.73 -37.28 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.527 ' HB2' ' HE3' ' A' ' 126' ' ' MET . 16.4 m -78.5 -37.23 43.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.921 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.527 ' HE3' ' HB2' ' A' ' 125' ' ' SER . 0.0 OUTLIER -71.98 -39.31 69.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -177.703 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -74.6 -23.16 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.64 0.257 . . . . 0.0 111.056 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.44 -177.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 24.1 Cg_exo -64.11 -9.19 18.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.739 2.292 . . . . 0.0 112.89 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.2 m95 -87.88 -0.92 57.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -65.69 -31.38 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.492 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -131.8 123.33 19.1 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.648 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.68 -38.11 65.55 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.255 2.636 . . . . 0.0 112.919 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.28 -36.04 60.02 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.744 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -68.72 -40.54 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.3 94.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.226 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.84 -54.17 45.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.507 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.498 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.7 m-20 -60.17 -34.1 73.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.666 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.04 -50.94 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.69 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.36 -55.43 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -61.49 -29.93 70.29 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -65.08 -58.4 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.801 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -66.47 -33.81 76.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.15 -46.35 81.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.4 . . . . 0.0 110.583 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -71.0 -41.17 61.59 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.18 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' HD13 ' A' ' 38' ' ' LEU . 48.3 t -64.07 -16.16 61.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -103.87 1.62 31.65 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.428 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.2 mtt -99.19 147.82 33.79 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.556 0.217 . . . . 0.0 110.865 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.9 152.7 47.02 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.463 2.108 . . . . 0.0 112.469 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.55 -30.61 4.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -104.61 -178.08 3.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.314 0.578 . . . . 0.0 111.434 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 156.01 48.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.37 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -59.11 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.1 mp0 -73.06 -35.24 66.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 111.383 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 28' ' ' SER . 88.3 mt -67.6 -29.29 68.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.65 -41.33 98.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.199 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 80' ' ' ILE . 18.9 t70 -68.63 -43.09 77.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.239 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.4 mtt -59.7 -35.4 74.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.249 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -62.11 -28.02 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.221 0.534 . . . . 0.0 109.973 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.702 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.3 m -81.27 -41.14 22.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.645 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -34.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.315 0.579 . . . . 0.0 109.815 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.05 -14.8 61.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.848 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.702 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.2 pt20 -105.84 -44.33 4.66 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.749 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -68.07 -41.63 81.68 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.73 0.3 . . . . 0.0 111.695 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.1 tpt -63.39 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 110.45 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.8 t -64.02 -47.32 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 56.3 mt-30 -60.15 -35.73 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.655 0.264 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 m -60.95 -45.51 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.982 0.42 . . . . 0.0 110.129 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.27 -35.06 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.5 mm-40 -56.72 -26.82 57.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 176.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 m -97.63 -44.19 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.591 -177.113 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.16 -19.8 63.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.445 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.3 mm? -69.56 -26.97 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.762 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -81.76 -26.11 34.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.483 -179.339 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.33 -35.76 35.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.002 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.55 -42.03 83.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.564 ' OD1' ' HA ' ' A' ' 67' ' ' GLN . 1.1 p-10 -74.89 -18.73 60.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.49 -173.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -94.32 -17.43 22.62 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.655 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.66 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -65.71 -23.61 66.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.29 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.574 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -35.03 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 5.1 m -70.42 -42.98 70.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.655 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.25 -24.09 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.798 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.79 -46.63 77.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.25 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 76' ' ' SER . 11.6 pt-20 -71.81 -17.01 62.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 66.6 mt -86.12 -41.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.155 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -72.57 -25.63 61.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.187 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 111.274 178.804 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD23 ' HB1' ' A' ' 81' ' ' ALA . 5.1 mt . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.647 0.26 . . . . 0.0 110.468 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -53.44 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -172.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.45 -33.01 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 9.6 mptt -65.18 -61.18 2.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.158 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -58.78 -35.31 72.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 t -68.23 -36.24 79.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.372 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -78.87 -40.86 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.191 -0.318 . . . . 0.0 110.617 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.1 mt -53.78 -46.25 62.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 110.376 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.8 72.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.748 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -75.99 -34.27 59.74 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -174.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.6 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.653 ' HE3' HG12 ' A' ' 117' ' ' ILE . 32.6 mtm -67.86 -42.08 81.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.473 177.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m -56.57 -47.39 79.61 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.245 0.545 . . . . 0.0 110.237 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.1 t30 -61.34 -44.67 96.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.784 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.56 98.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.614 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.2 59.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.715 -177.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.73 -24.16 49.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 85.1 mm-40 -82.09 -25.32 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.002 0.429 . . . . 0.0 110.679 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 18' ' ' ASN . 11.1 p -89.37 -61.59 1.67 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 t -120.67 -6.04 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 -176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.41 80.8 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.07 141.98 44.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.47 125.69 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.724 0.297 . . . . 0.0 110.779 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.505 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.2 t-20 -87.13 91.49 8.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.501 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.8 tp60 -60.25 -50.94 83.65 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.363 -174.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -53.62 -40.38 79.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 121.752 1.634 . . . . 0.0 112.382 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.558 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.2 t80 -58.92 -49.32 78.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.893 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.653 HG12 ' HE3' ' A' ' 101' ' ' MET . 48.7 mt -71.04 -32.23 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.961 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -71.89 -28.98 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.715 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 35.2 tt0 -79.88 -44.77 19.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.421 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -56.89 -52.47 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.4 p -57.7 -33.99 68.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.958 0.409 . . . . 0.0 111.568 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 126' ' ' MET . 34.5 tt0 -75.58 -44.54 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.2 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 86.2 mt -59.15 -51.05 71.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.023 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 120' ' ' ILE . 85.8 t -55.66 -41.39 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.7 m -65.81 -45.71 81.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 23.2 mmt -71.48 -41.26 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.651 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.86 -21.06 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 175.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.63 -3.64 13.48 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.879 2.386 . . . . 0.0 114.165 -173.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TRP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.5 m95 -99.05 11.26 39.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.937 0.398 . . . . 0.0 110.619 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -71.68 -20.91 61.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.703 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -145.31 126.94 7.76 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.25 -35.31 41.49 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.644 2.229 . . . . 0.0 112.555 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.51 -34.22 63.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.307 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.23 -43.37 78.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.09 87.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.639 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.63 -49.51 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.477 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -60.26 -41.52 93.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.68 -49.07 74.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.745 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.433 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 mmt -58.86 -51.23 70.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.161 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.14 -49.79 76.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.121 -179.655 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -63.19 -32.59 74.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.075 0.464 . . . . 0.0 111.092 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -62.84 -52.43 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.109 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.694 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.3 mm-40 -56.93 -41.55 78.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.45 -39.77 21.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.27 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -33.02 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.133 0.492 . . . . 0.0 109.794 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.543 ' HA ' HD13 ' A' ' 38' ' ' LEU . 19.7 t -72.82 2.56 6.49 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.225 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -122.92 0.11 9.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.826 0.346 . . . . 0.0 110.448 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.3 mmt -87.92 144.0 34.14 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.17 171.26 18.44 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.513 2.142 . . . . 0.0 112.145 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.455 ' HA3' ' HB ' ' A' ' 92' ' ' THR . . . 93.68 -26.5 15.91 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.776 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -101.31 -177.56 3.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.476 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -141.22 164.35 30.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.3 -32.61 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -70.0 -49.19 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.582 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -52.44 -41.52 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 0.0 111.456 176.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 28' ' ' SER . 78.4 mt -68.82 -23.17 64.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.229 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.75 -40.73 79.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.43 . . . . 0.0 110.22 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.15 -39.22 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.099 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.0 mtt -59.86 -33.5 71.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.501 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -61.95 -31.63 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 109.834 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -74.87 -42.07 58.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.763 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.95 -42.93 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.957 0.408 . . . . 0.0 110.377 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.433 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -63.49 -10.62 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.714 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 25.6 tt0 -104.99 -58.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.051 0.453 . . . . 0.0 110.936 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 t -66.04 -34.84 79.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.039 -172.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.66 98.25 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.62 -43.75 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.837 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 10.6 mm100 -63.85 -29.66 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.237 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.9 -32.81 56.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.292 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.08 -55.83 29.66 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.369 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -61.8 -40.06 93.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.65 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.385 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.464 0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 111.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -65.81 -35.69 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.316 0.579 . . . . 0.0 110.381 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.417 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -94.2 10.7 32.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.454 0.645 . . . . 0.0 110.654 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.83 -47.34 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.919 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.67 -30.27 70.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.58 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -63.86 -34.24 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.7 mtm -85.32 -30.98 23.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.035 0.445 . . . . 0.0 109.859 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.38 -54.65 40.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.854 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -69.59 -28.04 65.62 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.174 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.87 87.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 m -65.61 -41.66 92.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.265 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.9 t -63.27 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.702 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 mtm -82.03 -23.9 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.944 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.73 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.036 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -29.15 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.753 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt -79.22 -45.62 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.84 -31.69 72.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.912 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.265 178.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.411 HD23 ' HB1' ' A' ' 81' ' ' ALA . 16.9 mt . . . . . 0 N--CA 1.462 0.145 0 CA-C-O 120.481 0.182 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -50.95 -40.84 58.44 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.455 ' HB ' ' HA3' ' A' ' 32' ' ' GLY . 9.0 m -118.93 -15.17 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.05 0.452 . . . . 0.0 111.133 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -53.39 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -169.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.414 HG21 ' OG ' ' A' ' 125' ' ' SER . 29.5 p -67.03 -35.72 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -63.47 -44.4 94.55 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 53.7 m -60.13 -44.8 94.63 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.739 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.73 -47.29 91.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.864 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.71 -55.72 30.5 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.184 -177.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 m -64.37 -39.29 93.59 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.389 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.17 88.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.26 -38.31 81.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.533 ' HA ' HG11 ' A' ' 112' ' ' VAL . 42.5 m -59.88 -46.35 89.59 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.085 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.4 t30 -70.0 -36.56 75.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.91 86.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.44 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -19.78 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.16 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 55.7 mt -74.21 -27.39 60.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.845 0.355 . . . . 0.0 110.496 174.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 66.5 mm-40 -85.04 -17.38 37.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.723 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.9 p -98.44 -59.82 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.4 t -113.65 -18.02 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.236 -176.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.17 8.29 63.16 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.011 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 109' ' ' THR . 7.8 p -147.48 145.28 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.533 HG11 ' HA ' ' A' ' 102' ' ' SER . 2.5 t -121.79 155.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.072 0.463 . . . . 0.0 111.534 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -97.32 97.02 8.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.494 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.8 tp60 -65.6 -49.02 63.68 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.54 -173.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 50.7 Cg_exo -55.27 -39.12 92.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 C-N-CA 121.787 1.658 . . . . 0.0 112.085 177.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.9 t80 -54.51 -51.97 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.793 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.504 HD11 ' CG1' ' A' ' 112' ' ' VAL . 62.0 mt -65.26 -42.67 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.44 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.45 -17.8 63.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 34.4 tt0 -88.81 -40.77 12.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.197 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.1 mm -58.62 -44.32 89.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 19.5 p -55.4 -36.75 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.059 0.457 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -81.88 -37.31 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.375 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 89.4 mt -56.76 -51.34 69.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.8 -41.73 83.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.414 ' OG ' HG21 ' A' ' 94' ' ' THR . 46.2 m -64.57 -47.79 77.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.557 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -25.23 40.9 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -77.62 -39.1 46.43 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.545 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.033 0.444 . . . . 0.0 111.577 -177.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -79.42 102.96 9.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.157 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -112.19 102.58 1.38 Allowed Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 175.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -85.68 36.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.763 0.316 . . . . 0.0 111.566 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.0 p -162.42 154.6 18.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.396 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.7 t60 69.59 11.15 7.89 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -57.05 118.33 4.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.002 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.538 ' HB ' HD12 ' A' ' 66' ' ' LEU . 0.2 OUTLIER -100.68 144.98 29.54 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.486 ' HD2' HG22 ' A' ' 8' ' ' THR . 23.8 Cg_exo -65.04 -4.25 8.62 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.798 2.332 . . . . 0.0 113.735 -175.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.3 m95 -95.58 7.24 46.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.582 0.229 . . . . 0.0 110.829 -177.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.6 p -63.04 -36.04 82.25 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.018 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -126.92 130.86 23.71 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.365 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.447 ' HB2' ' NE2' ' A' ' 53' ' ' GLN . 20.1 Cg_endo -60.67 -33.99 92.63 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.505 2.136 . . . . 0.0 112.101 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.63 -35.89 44.98 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.079 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.8 tp -66.06 -41.0 91.38 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 176.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 20' ' ' MET . . . -57.14 -44.72 83.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.4 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -56.86 -56.21 24.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.353 177.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.04 -43.98 78.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.983 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -63.6 -53.08 57.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.492 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.549 ' CE ' ' HA ' ' A' ' 45' ' ' ALA . 53.6 mtp -69.47 -36.14 76.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.165 -174.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -59.64 -54.5 45.73 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 120.737 0.303 . . . . 0.0 111.018 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.2 m -60.02 -34.79 73.84 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.097 0.475 . . . . 0.0 110.406 178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.83 -58.5 8.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.045 176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.0 ppp? -65.52 -30.94 71.76 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.438 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -69.14 -50.97 43.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.722 0.296 . . . . 0.0 110.978 177.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.8 -37.47 84.14 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.913 -0.661 . . . . 0.0 112.735 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.3 tp -65.74 -30.93 71.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.5 t -61.87 -26.37 68.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.9 m -90.68 -6.16 54.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.195 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 61.1 mtt -93.02 152.17 41.17 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.398 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -74.0 178.52 6.78 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.624 2.216 . . . . 0.0 112.447 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 89.8 -39.44 3.11 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -100.15 155.52 17.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.12 0.486 . . . . 0.0 111.587 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.446 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -115.18 155.89 26.33 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.0 -34.6 63.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 20.2 m -62.29 -30.45 71.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 0.0 111.117 179.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.446 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 19.4 mp0 -82.42 -36.76 26.35 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.2 mm? -64.4 -30.23 71.27 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.937 0.398 . . . . 0.0 109.945 175.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 36' ' ' SER . 13.5 t70 -56.71 -39.86 74.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.716 175.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -80.19 -38.56 31.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.1 mtt -60.15 -31.35 70.01 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.337 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 t -60.12 -41.93 93.69 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 173.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 92.8 m -67.21 -41.39 85.87 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.716 176.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.09 -41.8 87.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.965 0.412 . . . . 0.0 109.918 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HA ' ' CE ' ' A' ' 20' ' ' MET . . . -61.28 -52.79 63.24 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.78 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.633 ' HG3' ' O ' ' A' ' 43' ' ' THR . 0.0 OUTLIER -63.31 -33.75 76.19 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.098 -177.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.8 t -70.16 -51.8 28.45 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.886 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.413 ' HB2' ' SD ' ' A' ' 20' ' ' MET . 85.5 mmm -60.57 -46.15 91.29 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.139 -179.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 45' ' ' ALA . 85.9 t -58.19 -51.87 65.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.241 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.46 -35.6 79.81 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 -178.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.3 m -60.32 -49.28 78.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.954 0.407 . . . . 0.0 110.234 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.9 mt -69.27 -32.0 51.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.607 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.447 ' NE2' ' HB2' ' A' ' 13' ' ' PRO . 69.2 mm-40 -56.42 -53.94 51.51 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.849 0.356 . . . . 0.0 110.513 175.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 20.7 t -67.38 -38.32 84.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.749 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.07 -49.4 76.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.289 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.43 -22.46 54.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.675 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.94 -56.15 11.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.754 0.312 . . . . 0.0 111.499 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 54' ' ' SER . 2.4 pp0? -91.16 4.44 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -174.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.99 -110.33 0.23 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.806 -1.188 . . . . 0.0 112.858 178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.66 179.26 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.619 0.247 . . . . 0.0 110.685 -176.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 19.7 m -121.21 121.69 38.32 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.795 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 p -85.19 157.97 58.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.57 -29.95 62.86 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.914 2.409 . . . . 0.0 112.605 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -64.09 -31.39 72.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.728 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 26.1 mmmt -68.64 -37.56 79.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.41 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.542 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -64.3 -36.53 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.435 -178.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.63 12.13 13.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.351 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -119.61 -45.29 2.51 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.195 172.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.68 -27.45 69.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.282 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.8 p-10 -65.55 -34.44 78.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.825 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.403 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 18.4 ptp -91.32 -17.12 26.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.749 0.309 . . . . 0.0 110.323 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.88 -57.46 5.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.079 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -71.0 -21.16 62.33 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-O 121.028 0.442 . . . . 0.0 110.327 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.67 -35.44 78.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.253 176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.2 t -71.13 -40.02 71.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.749 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -74.25 -22.34 59.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.463 -178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 45.9 mtm -86.87 -23.55 25.21 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.188 174.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.2 98.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.22 179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.89 -26.58 67.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.112 0.482 . . . . 0.0 110.672 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.1 mt -83.62 -37.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.403 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.75 -32.3 73.92 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.657 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.68 14.96 8.91 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.194 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.5 t -91.48 124.86 35.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.512 . . . . 0.0 109.821 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -92.62 121.43 34.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.888 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -172.74 -163.43 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.25 105.48 0.64 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.296 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.34 -40.38 0.61 Allowed Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.882 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 110.49 -145.31 17.26 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.656 175.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 m -75.87 173.04 11.68 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 123.156 0.582 . . . . 0.0 112.485 -170.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 10.1 tt -70.72 -26.93 63.61 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.073 178.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.9 m -58.72 -28.9 66.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.2 m -86.66 -17.13 34.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.51 0.671 . . . . 0.0 110.776 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.2 mmtm -75.88 -57.32 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.39 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.8 p -66.21 -33.84 76.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.247 -172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 p -66.48 -39.04 88.54 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 120.988 0.423 . . . . 0.0 111.168 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.3 m -69.6 -44.4 70.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.108 177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.1 mt -53.39 -46.33 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 121.099 0.476 . . . . 0.0 110.531 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.71 -46.8 83.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.52 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 49.4 m -72.94 -37.59 67.1 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.2 -174.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.45 92.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.223 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.7 mtm -66.09 -40.36 90.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.416 178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 43.0 t -59.13 -54.59 45.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.501 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.583 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 7.0 t30 -62.25 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.007 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.76 -49.28 71.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.49 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -24.69 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.826 0.346 . . . . 0.0 111.553 -175.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.549 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 38.7 mt -69.02 -30.26 68.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.806 0.336 . . . . 0.0 110.996 175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.583 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -82.96 -26.06 31.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.655 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 41.7 p -88.44 -59.65 2.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.167 -174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.3 t -119.97 -8.79 9.75 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.771 0.32 . . . . 0.0 111.27 -175.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 87.67 -12.53 63.15 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.239 174.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.439 ' H ' HG23 ' A' ' 109' ' ' THR . 33.4 t -120.15 135.05 61.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.549 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 18.6 t -105.21 145.42 13.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.849 0.357 . . . . 0.0 110.792 -179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -100.19 94.78 6.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.058 0.456 . . . . 0.0 109.833 177.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.5 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.9 tp60 -63.23 -48.19 83.61 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.223 -177.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 72.0 Cg_exo -50.18 -43.31 43.54 Favored 'Trans proline' 0 C--N 1.361 1.226 0 C-N-CA 122.047 1.831 . . . . 0.0 112.169 175.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.44 ' O ' HG12 ' A' ' 120' ' ' ILE . 37.9 t80 -57.71 -50.4 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.136 175.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.506 HD11 ' CG1' ' A' ' 112' ' ' VAL . 80.6 mt -61.39 -38.09 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.155 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.764 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 79.1 m-20 -69.44 -43.97 72.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.012 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -58.35 -46.94 85.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.505 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.9 mm -61.39 -47.54 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.387 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.6 p -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.318 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.764 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 25.1 mm-40 -69.97 -49.0 56.05 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.35 -53.03 62.84 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.373 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 120' ' ' ILE . 67.2 t -56.14 -49.55 75.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.292 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.6 m -62.01 -34.68 76.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.858 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.02 -53.21 11.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.54 -177.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -64.58 -31.19 72.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.517 -176.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.02 -43.99 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 111.428 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -80.76 -25.02 38.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.965 0.412 . . . . 0.0 111.261 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -83.26 -31.6 26.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.632 176.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 71.15 42.25 58.66 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.329 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 24.3 ptp -167.97 157.81 10.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.292 . . . . 0.0 110.954 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -112.56 25.64 11.29 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.7 t70 63.92 86.6 0.12 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.008 -177.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.4 p -164.93 121.25 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.99 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 20.9 m 62.85 20.48 12.21 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.207 -174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.538 -175.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 m -57.56 122.34 12.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.004 0.43 . . . . 0.0 111.318 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.53 -59.15 0.48 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.067 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -75.81 3.4 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.268 0.556 . . . . 0.0 110.538 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.44 -36.9 79.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.672 175.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 59.15 19.01 6.97 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.268 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.7 t -92.09 -9.28 43.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.194 0.521 . . . . 0.0 111.57 -174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -168.26 158.16 8.64 Favored Pre-proline 0 C--N 1.316 -0.881 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.206 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.72 -12.54 22.13 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.278 1.985 . . . . 0.0 112.129 178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.9 m95 -93.05 1.46 57.24 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 -173.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.3 p -69.63 -20.67 63.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.182 0.515 . . . . 0.0 111.255 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -143.53 123.83 7.81 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.523 -178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.74 -41.87 66.79 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.94 2.427 . . . . 0.0 112.449 178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.19 -33.25 84.67 Favored Glycine 0 C--N 1.333 0.375 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.799 178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.1 tp -70.56 -43.79 68.75 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -45.43 92.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.846 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -59.14 -53.09 62.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.672 177.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.521 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.3 m-80 -60.01 -39.31 85.34 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.289 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -61.62 -50.87 70.83 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.508 177.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.41 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 20.3 mmt -63.18 -41.49 99.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.379 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -59.19 -47.54 84.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.945 178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -67.96 -43.31 79.35 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.855 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -59.34 -57.49 12.76 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.262 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.7 tmm? -59.02 -41.35 87.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.6 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -60.9 -52.71 63.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.788 0.328 . . . . 0.0 111.379 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.75 -38.17 85.21 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.608 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.3 tm? -65.16 -35.1 80.05 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.451 ' HA ' HD13 ' A' ' 38' ' ' LEU . 32.6 t -65.57 -13.77 59.69 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.0 t -101.43 -8.76 21.71 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.627 -0.26 . . . . 0.0 110.793 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.8 mtt -87.03 149.23 47.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.78 0.324 . . . . 0.0 110.943 -177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.98 160.09 40.63 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.748 2.299 . . . . 0.0 113.005 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.42 -29.84 10.84 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.389 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -101.73 155.8 17.9 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.135 0.493 . . . . 0.0 111.551 -177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -113.18 162.83 15.52 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.243 176.105 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.11 -41.09 71.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.671 0.272 . . . . 0.0 111.072 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.63 -38.83 75.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.17 0.51 . . . . 0.0 110.863 178.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.5 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 69.8 mt-30 -76.04 -40.22 53.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.714 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 28' ' ' SER . 85.6 mt -67.24 -30.59 70.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.575 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -62.99 -33.79 76.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -74.76 -39.61 61.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.157 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.4 mtt -60.43 -32.02 70.97 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.404 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.5 t -59.69 -39.7 85.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.132 0.491 . . . . 0.0 109.852 175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.455 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 98.8 m -69.71 -40.27 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.738 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -59.46 -43.95 91.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.064 0.459 . . . . 0.0 109.992 177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' HB1' ' HB3' ' A' ' 20' ' ' MET . . . -56.85 -50.02 73.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.048 177.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 43' ' ' THR . 2.8 pt20 -70.47 -29.68 66.29 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.447 -175.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -74.75 -46.99 33.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.644 0.259 . . . . 0.0 110.963 -176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 91.4 mmm -61.13 -44.25 97.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.255 -177.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 88.2 t -58.9 -48.42 86.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.166 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -63.5 -35.05 79.18 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.598 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -66.79 -22.71 66.02 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.096 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -95.21 -30.63 4.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.263 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -54.12 -56.2 20.38 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.494 175.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.1 t -69.81 -25.84 63.97 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.78 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.9 tp -73.71 -47.6 38.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.82 -22.61 59.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.788 179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.12 -49.31 78.13 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.311 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -76.91 -33.34 57.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.332 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.31 -17.72 58.12 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.807 -0.711 . . . . 0.0 113.272 173.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.28 103.68 9.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.499 -177.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 33.8 m -132.48 114.84 14.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.6 m -82.36 153.17 68.46 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.07 174.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.03 -24.45 76.61 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.521 2.148 . . . . 0.0 112.012 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.25 -30.05 71.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.537 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.454 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.4 mmmt -64.02 -46.0 86.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.924 -177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -58.28 -28.23 64.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.031 -179.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -85.21 -44.29 13.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.853 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.3 -29.91 70.21 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.144 0.497 . . . . 0.0 110.731 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 97.0 mt -70.0 -34.78 73.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.172 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -76.36 -22.44 54.85 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.275 -0.57 . . . . 0.0 110.406 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.1 mmt -67.81 -46.85 70.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.227 172.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.11 -60.69 3.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.144 -0.935 . . . . 0.0 112.275 -174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.468 ' O ' ' HG3' ' A' ' 77' ' ' MET . 4.5 p90 -67.05 -30.77 70.94 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.901 -174.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.27 -39.3 78.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.79 0.328 . . . . 0.0 110.529 178.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.3 t -67.4 -43.9 80.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.885 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.1 m -65.75 -41.37 92.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.762 0.315 . . . . 0.0 111.261 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.468 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.4 mtm -68.4 -29.11 67.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.739 0.304 . . . . 0.0 110.378 178.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.49 -43.17 97.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.507 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -60.49 -47.37 86.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.16 176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.5 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 64.7 mt -60.39 -46.06 95.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.777 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.56 -41.37 73.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.802 178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.04 23.87 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.9 m -83.45 122.93 29.17 Favored 'General case' 0 N--CA 1.439 -1.011 0 CA-C-O 120.586 0.231 . . . . 0.0 110.498 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -73.5 114.97 12.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 110.553 177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.26 -159.22 0.63 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 -178.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.35 67.5 0.53 Allowed Glycine 0 CA--C 1.522 0.489 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.69 172.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.33 75.96 0.12 Allowed Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -175.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.01 -19.66 12.46 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.926 -177.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 22.8 m -59.55 105.1 0.33 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.063 0.458 . . . . 0.0 111.436 -178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.561 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 5.9 tt -67.14 -20.39 65.76 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.539 -173.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.9 p -59.78 -31.2 69.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.779 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 18.0 m -96.41 -13.33 23.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.524 0.678 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.561 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 10.5 mmmm -77.47 -37.75 50.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.385 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 p -82.57 -32.0 28.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.51 -36.91 76.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 120.969 0.414 . . . . 0.0 111.446 -177.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 p -68.49 -50.46 52.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.436 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 70.7 mt -48.22 -49.74 12.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.277 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.495 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -57.02 -44.9 83.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.868 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.8 m -73.82 -38.97 64.39 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.114 -172.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.36 -41.63 85.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.916 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.555 ' HE3' HG12 ' A' ' 117' ' ' ILE . 30.5 mtm -67.08 -43.28 82.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.179 177.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.3 t -56.03 -45.12 79.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.242 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.566 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 24.7 t30 -67.22 -39.76 86.3 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.273 177.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.96 -41.51 87.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.407 -178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 42.0 m-85 -60.33 -41.75 94.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.079 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.56 -26.43 64.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.474 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 73.7 mm-40 -84.32 -16.27 43.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 18' ' ' ASN . 23.9 p -111.27 -57.21 2.28 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 -172.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.433 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.8 t -114.95 -12.58 12.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.708 0.289 . . . . 0.0 110.996 -175.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 82.41 10.3 83.71 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.836 -0.697 . . . . 0.0 113.004 175.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.456 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -144.66 134.1 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.167 0.508 . . . . 0.0 110.574 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 15.1 t -104.57 137.04 35.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.758 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -97.2 95.38 7.7 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.517 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.4 tp60 -62.91 -49.1 83.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 115.547 -0.752 . . . . 0.0 112.137 -175.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.517 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.0 Cg_exo -52.66 -42.81 60.03 Favored 'Trans proline' 0 C--N 1.36 1.134 0 C-N-CA 121.974 1.783 . . . . 0.0 112.545 176.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.555 ' O ' HG12 ' A' ' 120' ' ' ILE . 59.5 t80 -56.46 -50.28 72.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.742 176.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.555 HG12 ' HE3' ' A' ' 101' ' ' MET . 76.2 mt -65.96 -38.66 82.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.076 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -60.52 -46.01 91.71 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.494 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.5 tp10 -60.31 -44.83 95.09 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.139 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.5 mm -59.44 -48.39 87.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.427 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.495 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.0 p -58.87 -33.18 70.18 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.473 ' O ' ' HB2' ' A' ' 126' ' ' MET . 12.3 pt20 -88.93 -21.84 23.38 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.505 -179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 69.6 mt -68.43 -53.28 24.7 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 171.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 92.6 t -55.2 -45.98 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.61 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 44.5 m -62.44 -39.2 92.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.964 0.412 . . . . 0.0 110.965 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -71.07 -44.9 64.81 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.751 -176.454 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -71.55 -29.19 64.46 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.85 -61.01 2.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.133 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.8 -49.39 70.86 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.96 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 58.46 21.62 8.68 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.893 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 87.04 8.38 75.73 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.947 -0.644 . . . . 0.0 112.341 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 64.4 mtm -111.84 148.61 33.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.696 0.284 . . . . 0.0 110.271 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 133' ' ' ASN . 3.3 t-20 -92.09 149.39 21.53 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.481 -177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -104.46 89.05 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.149 0.976 . . . . 0.0 111.241 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 136' ' ' SER . 13.4 m -113.95 42.82 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.726 165.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.47 ' HB2' ' O ' ' A' ' 135' ' ' VAL . 58.5 m 72.51 85.78 0.12 Allowed 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 114.382 -1.281 . . . . 0.0 108.764 -164.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.895 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.835 -177.073 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 112.127 -0.389 . . . . 0.0 112.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -93.56 18.41 10.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.041 0.448 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.9 166.3 12.48 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.848 -0.692 . . . . 0.0 111.892 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -97.75 8.49 44.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.354 0.597 . . . . 0.0 110.006 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -71.44 89.87 0.95 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.129 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -95.97 65.16 2.47 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 p -96.01 159.02 15.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.196 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.32 158.04 36.42 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.923 176.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.35 -9.1 14.18 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.827 2.352 . . . . 0.0 113.858 -175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.567 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 7.6 m95 -95.77 4.48 52.88 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.566 0.222 . . . . 0.0 111.092 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -69.52 -23.94 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.029 0.442 . . . . 0.0 111.264 -179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -138.16 127.74 14.9 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.254 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.91 -35.12 69.54 Favored 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.088 2.525 . . . . 0.0 112.806 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.06 37.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.032 -0.604 . . . . 0.0 111.822 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.36 -40.01 92.71 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 120.291 0.091 . . . . 0.0 110.853 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.25 -49.71 73.42 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.325 0.391 . . . . 0.0 111.055 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -62.45 -50.54 71.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.321 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.474 ' HB3' HG22 ' A' ' 108' ' ' THR . 27.1 m-80 -62.0 -43.7 98.28 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.52 -178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -59.8 -49.64 76.92 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.505 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.49 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 12.1 mmt -58.95 -49.6 77.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.657 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -46.57 89.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.483 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.2 m -65.41 -31.73 72.99 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.967 0.413 . . . . 0.0 110.791 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -67.32 -56.72 8.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.294 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.434 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.8 ppp? -63.64 -37.62 88.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.522 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 13.1 mm100 -68.07 -46.96 69.6 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.746 0.307 . . . . 0.0 111.273 176.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.73 -40.47 93.87 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.345 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 tp -66.9 -35.04 79.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.687 0.279 . . . . 0.0 111.071 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.2 m -65.73 -16.16 63.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -92.45 -10.13 39.03 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.529 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 46.1 mtt -96.62 154.11 38.57 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.458 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -80.93 154.71 19.84 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 122.725 2.283 . . . . 0.0 112.428 176.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 124.99 -22.47 6.36 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.431 172.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -110.93 178.07 4.47 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.195 0.521 . . . . 0.0 111.351 -177.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 1.4 m -131.98 159.44 38.73 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 176.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.07 69.58 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.6 m -59.57 -45.33 92.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.882 0.372 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.501 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.4 mp0 -72.42 -34.35 67.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.079 -177.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -69.95 -30.11 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.984 0.421 . . . . 0.0 110.526 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.08 -36.39 84.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.526 178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -72.8 -36.29 67.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.414 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.5 mtt -60.41 -24.2 64.96 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.663 177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.9 t -62.61 -32.48 73.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.068 0.461 . . . . 0.0 109.985 176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 87.1 m -65.93 -43.19 88.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.156 176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 57.5 mt -65.76 -42.23 92.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.379 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.49 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -59.11 -27.98 66.09 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.314 179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -91.51 -52.52 4.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.146 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 27.4 t -57.34 -50.26 73.52 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.366 -172.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 85.8 mmm -58.32 -41.37 84.38 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.742 0.306 . . . . 0.0 111.112 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 58.9 t -62.79 -44.1 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.614 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -63.45 -39.02 93.36 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.257 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.4 m -63.93 -34.79 78.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.767 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.87 -33.5 25.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.258 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.611 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 84.4 mm-40 -57.75 -50.66 72.48 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.178 0.513 . . . . 0.0 109.875 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -66.91 -27.19 67.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.995 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 HD21 HG23 ' A' ' 61' ' ' THR . 32.8 tp -75.38 -42.96 52.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.71 -179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.45 -20.44 62.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.053 0.454 . . . . 0.0 110.514 177.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.97 -44.92 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.06 176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -75.79 -24.78 55.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.84 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.65 -71.52 0.31 Allowed Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.701 170.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -64.02 127.0 29.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.572 -175.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.496 HG23 HD21 ' A' ' 55' ' ' LEU . 25.5 m -122.06 -71.24 0.74 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.568 178.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.421 ' HB2' ' O ' ' A' ' 61' ' ' THR . 40.0 m 74.99 136.06 0.05 OUTLIER Pre-proline 0 CA--C 1.536 0.426 0 O-C-N 123.822 0.701 . . . . 0.0 110.439 -171.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 66' ' ' LEU . 51.2 Cg_exo -55.39 -17.72 17.07 Favored 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.325 2.683 . . . . 0.0 113.619 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -63.19 -31.19 72.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.247 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -69.25 -33.77 73.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.286 0.565 . . . . 0.0 110.081 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.567 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -66.97 -25.03 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.403 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -90.11 8.04 34.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.112 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.81 -38.46 3.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.479 173.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.8 -24.61 66.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.074 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -67.84 -38.04 82.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.4 ptp -85.51 -16.92 37.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.885 0.374 . . . . 0.0 110.364 179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.42 -60.01 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.184 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' CE1' ' HZ2' ' A' ' 10' ' ' TRP . 6.9 p90 -69.64 -28.18 65.68 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-O 120.969 0.414 . . . . 0.0 110.321 -177.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.63 80.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.99 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 14.9 t -65.58 -46.28 80.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.293 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -65.91 -42.34 90.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.526 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mtp -61.37 -36.84 81.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.99 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB1' ' N ' ' A' ' 128' ' ' ALA . . . -60.85 -44.24 97.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.372 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.13 -27.67 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.501 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 78.8 mt -78.01 -40.52 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.5 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.41 ' O ' ' HE2' ' A' ' 93' ' ' LYS . . . -66.61 -33.22 75.18 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.441 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.66 19.07 14.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.014 0.435 . . . . 0.0 111.526 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.7 t -97.88 122.59 41.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.837 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.22 104.56 16.91 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.263 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -142.59 37.75 1.49 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 119.86 34.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.488 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.45 85.11 0.28 Allowed Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -96.86 5.39 63.85 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.81 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.512 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 7.2 m -56.61 115.49 2.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.501 0.191 . . . . 0.0 110.767 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 93' ' ' LYS . 0.4 OUTLIER -78.04 -24.83 47.66 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.937 0.399 . . . . 0.0 110.616 -177.376 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.6 m -54.55 -41.85 70.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.647 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 m -82.27 -26.83 32.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.05 0.452 . . . . 0.0 111.066 -178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.516 ' HB2' HD23 ' A' ' 90' ' ' LEU . 46.1 mmtm -61.54 -55.88 26.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.957 -178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 p -63.94 -35.04 79.36 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.782 -173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 m -66.09 -46.0 79.21 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.382 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.6 p -71.78 -43.76 65.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.835 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.9 mt -53.46 -48.3 57.89 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 120.948 0.404 . . . . 0.0 110.994 176.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -58.02 -41.66 83.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.312 -177.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.5 t -78.5 -36.77 44.53 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.233 -173.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -41.89 85.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.305 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.0 mtm -70.35 -37.2 74.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.867 0.365 . . . . 0.0 110.24 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.8 t -59.91 -48.76 80.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.338 0.59 . . . . 0.0 109.585 176.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.573 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.2 t30 -61.57 -39.88 92.73 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.905 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.94 -41.67 98.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.75 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 1.3 m-30 -70.14 -26.24 63.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.635 0.255 . . . . 0.0 111.331 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 64.5 mt -78.41 -28.78 46.89 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.64 0.257 . . . . 0.0 111.094 177.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.573 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.1 mm-40 -78.94 -23.19 44.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.152 0.501 . . . . 0.0 110.754 178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.474 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.5 p -93.19 -68.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.167 -175.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.4 t -111.44 -32.74 6.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.904 0.383 . . . . 0.0 111.017 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.77 -7.04 38.34 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.531 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.7 t -113.15 125.68 70.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 117' ' ' ILE . 21.6 t -99.78 138.53 23.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.472 179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -97.24 98.13 9.74 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.076 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.513 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.0 tp60 -62.5 -49.3 84.02 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.962 -177.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.513 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 86.9 Cg_exo -49.64 -46.26 27.82 Favored 'Trans proline' 0 C--N 1.363 1.322 0 C-N-CA 122.118 1.879 . . . . 0.0 112.326 174.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.444 ' O ' HG12 ' A' ' 120' ' ' ILE . 48.8 t80 -54.73 -50.07 69.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.251 176.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 112' ' ' VAL . 70.9 mt -64.84 -37.33 79.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.078 -178.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 96.5 m-20 -65.65 -46.32 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 176.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.88 -53.78 54.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.09 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.5 mm -58.56 -47.84 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.788 -177.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.447 HG21 ' HB2' ' A' ' 98' ' ' ALA . 19.9 p -63.96 -28.57 69.91 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.982 -0.287 . . . . 0.0 111.496 -176.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 14.2 mm100 -78.85 -36.01 43.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.803 0.335 . . . . 0.0 110.158 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.0 -52.09 64.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.745 174.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 120' ' ' ILE . 90.2 t -55.63 -44.59 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.792 177.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.6 t -57.66 -40.64 79.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.162 0.506 . . . . 0.0 110.663 178.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 21.1 tpp -75.33 -47.88 25.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.205 -174.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -69.56 -30.57 68.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.173 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.456 ' N ' ' HB1' ' A' ' 78' ' ' ALA . . . -67.19 -40.74 86.57 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.964 0.411 . . . . 0.0 110.624 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 132' ' ' MET . 48.3 mt-30 -72.95 -52.45 14.5 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.153 176.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.48 23.14 5.61 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 173.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 77.26 7.91 86.94 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.616 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 129' ' ' GLN . 17.9 mmt -77.82 157.35 29.96 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -147.84 127.4 13.25 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -78.75 67.42 4.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 122.159 0.981 . . . . 0.0 110.65 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.1 p -62.43 106.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.44 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 35.6 t 69.05 9.7 7.53 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.773 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.27 -178.02 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 111.679 -0.568 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 p -147.2 22.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.964 0.411 . . . . 0.0 111.137 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 157.86 -156.62 27.5 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.851 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -70.88 -50.46 34.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.619 0.247 . . . . 0.0 111.02 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t 74.15 -27.52 0.19 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.672 0.789 . . . . 0.0 111.671 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -80.61 81.05 6.96 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.7 m -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.901 -172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.473 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -91.53 147.26 34.89 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.616 172.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD2' HG22 ' A' ' 8' ' ' THR . 49.3 Cg_endo -69.0 -10.3 28.77 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.477 2.118 . . . . 0.0 113.81 -172.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -89.9 2.4 55.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.675 0.274 . . . . 0.0 110.746 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.609 HG23 HD22 ' A' ' 12' ' ' ASN . 9.0 t -64.53 -23.82 67.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.323 -177.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.609 HD22 HG23 ' A' ' 11' ' ' THR . 49.6 m-80 -139.19 127.77 13.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -51.89 -41.07 65.16 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.03 2.487 . . . . 0.0 112.612 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.06 -40.69 95.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.945 178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 tp -67.42 -39.25 85.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.28 -46.79 85.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.042 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -63.71 -45.87 88.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.742 179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -63.42 -40.46 97.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.98 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -63.9 -49.35 73.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.455 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 8.5 mmt -59.52 -48.33 82.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.606 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.56 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 1.0 OUTLIER -59.12 -47.63 84.58 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.246 179.464 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 25.7 m -63.2 -35.98 82.1 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 121.036 0.446 . . . . 0.0 110.532 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 58.3 t80 -64.61 -55.83 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.011 178.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.7 ptm -60.69 -36.98 80.12 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.491 -176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 76.4 mm-40 -70.25 -49.35 50.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.844 0.354 . . . . 0.0 110.354 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.56 82.4 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.354 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD22 ' CZ ' ' A' ' 23' ' ' PHE . 22.4 tp -73.62 -27.28 61.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 0.0 110.475 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.56 ' HA ' HD13 ' A' ' 38' ' ' LEU . 19.9 t -70.76 -13.48 62.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.382 0.61 . . . . 0.0 109.617 175.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.8 t -91.64 -9.77 42.81 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.143 178.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.416 ' HG3' HD12 ' A' ' 27' ' ' LEU . 19.9 mmt -89.74 155.43 47.97 Favored Pre-proline 0 C--O 1.235 0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -81.85 -178.28 4.06 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.8 2.333 . . . . 0.0 112.054 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.34 -40.08 3.01 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.749 -0.738 . . . . 0.0 113.197 176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.4 ' CE2' HD11 ' A' ' 27' ' ' LEU . 68.0 m-85 -86.53 150.96 23.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.021 0.439 . . . . 0.0 111.285 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.9 m -107.08 161.54 14.66 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.146 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.48 -41.77 81.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.699 0.285 . . . . 0.0 111.549 -176.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -57.95 -36.24 72.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.26 0.552 . . . . 0.0 110.818 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.4 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 72.3 mt-30 -76.92 -42.51 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.756 -177.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.56 HD13 ' HA ' ' A' ' 28' ' ' SER . 97.7 mt -65.43 -30.15 70.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.461 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.38 -35.31 79.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.929 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -78.73 -24.53 44.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.477 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.3 mmt -60.14 -29.16 68.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.091 0.472 . . . . 0.0 110.488 170.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.2 t -65.56 -26.83 68.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.194 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -59.91 -51.83 68.0 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 109.739 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.2 mt -65.85 -36.91 78.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.58 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.32 -8.32 45.16 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.434 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -103.61 -58.8 1.82 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.604 177.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.2 m -56.27 -47.86 77.74 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.276 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 88.8 mmm -60.65 -51.95 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.762 0.315 . . . . 0.0 111.227 -177.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.94 -50.17 78.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.268 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.51 -29.23 68.6 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.67 -176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.04 -37.65 78.71 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 66.5 mt -72.5 -34.92 49.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 176.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -59.95 -47.19 86.82 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.171 0.51 . . . . 0.0 109.961 173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.521 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 15.3 m -73.65 -8.79 57.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.4 tp -90.82 -55.72 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.8 -22.55 64.25 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.644 -176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -92.93 -43.08 9.13 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.751 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 54' ' ' SER . 23.3 mt-30 -101.23 8.45 42.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 -172.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -170.17 -141.85 3.4 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 119.851 -1.166 . . . . 0.0 113.387 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -134.48 150.4 50.81 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 62' ' ' SER . 4.4 m -99.39 -76.45 0.54 Allowed 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 61' ' ' THR . 57.7 m 68.98 156.84 0.15 Allowed Pre-proline 0 N--CA 1.469 0.495 0 C-N-CA 122.684 0.394 . . . . 0.0 111.045 -172.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.36 -19.18 49.64 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.967 2.445 . . . . 0.0 113.218 -177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.52 -40.13 93.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.26 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -65.63 -28.55 69.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.941 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.404 HD12 ' HB ' ' A' ' 8' ' ' THR . 4.0 mm? -70.92 -17.83 62.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.55 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -104.52 7.24 35.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -109.94 -42.42 4.23 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.109 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.6 -20.59 63.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.645 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -71.31 -31.19 67.13 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.94 0.4 . . . . 0.0 110.559 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 37.1 mtm -86.18 -30.5 22.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.105 0.479 . . . . 0.0 109.935 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.16 -55.59 33.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.013 -175.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' O ' ' HG3' ' A' ' 77' ' ' MET . 5.0 p90 -76.26 -22.71 54.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -176.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -72.06 -36.67 69.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.959 0.409 . . . . 0.0 110.591 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.1 t -67.06 -36.57 82.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.758 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 p -77.52 -35.77 53.09 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.111 -178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 50.6 mtm -68.22 -28.64 67.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.556 0.217 . . . . 0.0 110.789 176.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.77 -43.16 76.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.71 -32.69 74.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.405 ' O ' ' HB2' ' A' ' 83' ' ' SER . 70.4 mt -77.05 -40.65 30.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.581 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.45 -36.23 80.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.514 -178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.0 6.45 13.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.094 0.473 . . . . 0.0 111.851 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 37.1 m -90.52 104.85 17.39 Favored 'General case' 0 N--CA 1.436 -1.174 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.871 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.09 75.9 7.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.428 0.632 . . . . 0.0 110.039 176.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -87.61 -68.49 0.75 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.562 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.77 -173.15 44.12 Favored Glycine 0 N--CA 1.448 -0.511 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.58 90.21 0.74 Allowed Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.184 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -168.12 112.38 0.48 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.364 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 44.8 t -72.48 163.69 27.62 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.524 0.202 . . . . 0.0 110.543 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.87 -29.05 70.46 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.0 m -61.86 -34.78 76.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.434 177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.7 m -72.1 -38.12 69.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.621 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -66.27 -52.03 51.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.975 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 p -59.64 -41.31 90.24 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 p -69.11 -36.72 77.82 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-O 120.976 0.417 . . . . 0.0 110.924 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.407 ' HB3' ' CB ' ' A' ' 30' ' ' MET . 57.6 m -67.14 -43.58 82.0 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.562 176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 81.1 mt -57.28 -49.5 79.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.38 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.48 -46.07 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.183 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.4 m -71.22 -39.49 71.69 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -48.07 81.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.221 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.526 ' HE3' HG12 ' A' ' 117' ' ' ILE . 26.0 mtm -64.36 -41.95 96.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.729 0.299 . . . . 0.0 110.33 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.6 t -57.05 -50.69 71.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.135 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.589 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.1 t30 -64.1 -37.72 88.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.876 177.13 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.53 -41.94 91.18 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.276 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 35.5 m-85 -60.47 -38.96 85.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.963 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.66 -16.84 61.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.569 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 52.1 mm-40 -98.37 -2.04 40.19 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.813 0.339 . . . . 0.0 110.781 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 p -118.96 -59.52 1.85 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.1 t -118.09 -9.07 10.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.739 0.304 . . . . 0.0 111.348 -176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.97 8.66 86.34 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.629 -0.796 . . . . 0.0 113.148 173.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 6.7 p -140.58 135.57 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.135 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 47.0 t -101.6 127.02 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.083 -175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.454 ' O ' HG13 ' A' ' 117' ' ' ILE . 50.7 t-20 -85.38 86.45 7.37 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.515 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 20.5 tp60 -60.59 -51.61 78.59 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.151 -174.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.0 Cg_endo -52.49 -40.06 72.79 Favored 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 122.325 2.017 . . . . 0.0 112.464 178.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.496 ' O ' HG12 ' A' ' 120' ' ' ILE . 51.7 t80 -58.2 -44.26 88.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 110.871 175.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.526 HG12 ' HE3' ' A' ' 101' ' ' MET . 63.8 mt -71.66 -33.78 50.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.696 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -77.75 -9.04 58.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.955 176.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -91.66 -53.35 4.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.054 175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.496 HG12 ' O ' ' A' ' 116' ' ' PHE . 39.1 mm -54.66 -39.8 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.672 -177.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.4 p -58.82 -26.36 64.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.501 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -78.34 -50.84 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.925 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.15 -51.91 55.08 Favored 'General case' 0 N--CA 1.461 0.104 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.199 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 120' ' ' ILE . 60.3 t -57.26 -44.14 83.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.058 -177.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.9 m -67.54 -45.59 75.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -51.06 71.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.19 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -66.73 -31.17 71.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.642 -177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.74 -58.69 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.51 -40.23 93.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.909 -178.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -90.81 14.28 14.04 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -83.26 50.97 4.5 Favored Glycine 0 CA--C 1.518 0.249 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.324 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.2 ptp -117.73 2.7 12.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.235 0.54 . . . . 0.0 110.448 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -129.44 153.46 47.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.408 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -85.47 25.08 1.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.229 0.537 . . . . 0.0 110.034 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 64.7 t 70.74 96.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.136 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.6 m 71.3 2.29 4.19 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.069 176.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.216 -0.897 . . . . 0.0 109.995 179.684 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.204 -0.358 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -68.8 119.21 12.81 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.886 0.375 . . . . 0.0 110.361 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 82.24 19.96 63.57 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.069 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -61.19 -57.26 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.778 0.323 . . . . 0.0 111.194 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 p -116.59 163.98 15.28 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -87.18 132.29 33.92 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 176.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 p -67.71 114.15 6.08 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.302 0.853 . . . . 0.0 113.302 -171.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.68 158.77 33.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 114.763 -1.108 . . . . 0.0 108.96 169.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.15 -13.31 39.22 Favored 'Trans proline' 0 N--CA 1.471 0.203 0 C-N-CA 122.194 1.929 . . . . 0.0 112.844 -177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.453 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 11.8 m95 -102.94 12.13 36.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.964 -176.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.4 p -63.01 -33.36 75.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.136 0.493 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -139.36 131.55 15.21 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.054 -176.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.58 -42.03 71.92 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.954 2.436 . . . . 0.0 113.017 -179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.57 -42.3 72.95 Favored Glycine 0 N--CA 1.451 -0.345 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 tp -59.97 -42.53 94.33 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.062 -0.348 . . . . 0.0 110.062 176.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 20' ' ' MET . . . -57.98 -48.36 80.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.893 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -54.57 -50.67 67.41 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.941 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -63.37 -47.08 83.59 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.671 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -62.12 -51.86 66.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.47 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.422 ' HG2' ' O ' ' A' ' 16' ' ' ALA . 96.4 mmm -62.58 -38.0 88.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.688 -173.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -76.03 -41.87 49.56 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.348 -178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -63.04 -38.81 92.66 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.001 0.429 . . . . 0.0 110.304 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -59.31 -52.29 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.982 173.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.5 ttm -57.26 -54.55 45.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.317 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -63.34 -45.15 92.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.281 -176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.91 -31.79 79.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.618 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.2 tp -73.07 -30.48 63.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.692 0.282 . . . . 0.0 110.786 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -67.29 -18.4 65.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.282 0.563 . . . . 0.0 110.0 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.3 t -91.94 -5.11 53.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.504 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 52.9 mtt -99.71 146.43 31.82 Favored Pre-proline 0 N--CA 1.449 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.267 -178.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.64 158.7 54.59 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.835 2.356 . . . . 0.0 112.774 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.67 -34.12 5.94 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.11 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' HB3' ' CD2' ' A' ' 38' ' ' LEU . 70.5 m-85 -101.54 176.56 5.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.408 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -153.65 162.94 40.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.328 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.38 -39.63 64.36 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 m -57.58 -44.61 85.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.319 0.581 . . . . 0.0 110.693 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.47 ' NE2' ' HB3' ' A' ' 85' ' ' GLU . 2.6 mp0 -70.83 -37.48 73.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.274 -179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD2' ' HB3' ' A' ' 33' ' ' PHE . 4.4 mm? -70.09 -26.4 63.97 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.472 179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 42' ' ' SER . 18.0 t70 -64.22 -42.86 96.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.507 ' OD2' HD11 ' A' ' 80' ' ' ILE . 24.9 t70 -72.41 -34.4 67.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 109.967 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.7 mtt -62.45 -29.23 70.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 173.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 39' ' ' ASP . 22.8 t -65.14 -42.09 94.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 173.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 85.0 m -59.2 -50.04 75.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.525 174.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 40' ' ' ASP . 64.6 mt -55.29 -53.68 32.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.474 178.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.513 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -53.01 -53.11 54.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.166 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.553 ' HG2' ' NE2' ' A' ' 50' ' ' GLN . 62.5 tt0 -62.59 -48.95 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.658 -177.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.9 t -60.44 -47.39 86.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.545 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 96.0 mmm -60.89 -46.76 89.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.675 0.274 . . . . 0.0 111.278 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 45' ' ' ALA . 97.9 t -58.0 -51.22 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.553 ' NE2' ' HG2' ' A' ' 46' ' ' GLN . 49.4 mt-30 -59.06 -41.6 88.33 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.325 -178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -59.52 -35.08 73.49 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.14 -179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 64.6 mt -83.0 -32.37 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.6 179.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 79.5 mm-40 -55.04 -53.17 59.22 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.026 0.441 . . . . 0.0 110.374 176.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 t -72.16 -30.96 65.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.561 -178.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.04 -36.35 83.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -84.85 -20.87 30.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.909 0.385 . . . . 0.0 111.038 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.42 -53.15 5.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.595 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.78 25.24 4.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.116 0.484 . . . . 0.0 111.705 -174.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -136.58 -147.32 5.33 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.909 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -150.67 121.49 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.9 m -91.33 82.67 5.43 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.614 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.5 m -70.14 154.05 94.85 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.013 177.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -52.23 -28.14 32.9 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.93 2.42 . . . . 0.0 113.231 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -67.61 -28.85 68.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.926 0.394 . . . . 0.0 111.196 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -65.72 -30.86 71.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 -175.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.0 mm? -61.08 -35.25 76.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.239 -179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' HA ' ' ND2' ' A' ' 70' ' ' ASN . 2.0 mp0 -77.89 -38.48 45.72 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.977 0.418 . . . . 0.0 110.494 177.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.0 -32.65 74.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.535 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 97.5 mt -84.67 -33.39 23.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.862 -177.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 28.6 p30 -75.32 -28.26 59.59 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 120.227 -0.589 . . . . 0.0 111.577 -174.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -82.37 -25.58 33.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.23 0.538 . . . . 0.0 109.821 176.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.71 -56.97 9.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.428 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.7 p90 -69.6 -27.76 65.37 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.224 -177.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.97 -37.9 79.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.607 177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 45.8 t -63.42 -46.34 86.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.969 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 17.2 m -65.69 -40.84 92.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.866 179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 40.5 mtm -69.65 -25.47 63.93 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.84 88.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.413 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 76' ' ' SER . 10.1 pt-20 -72.64 -29.8 63.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.125 0.488 . . . . 0.0 110.144 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.507 HD11 ' OD2' ' A' ' 40' ' ' ASP . 64.4 mt -70.85 -41.08 77.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.282 176.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.49 -27.65 69.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.905 175.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.45 3.81 45.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.127 0.489 . . . . 0.0 111.267 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 38.2 t -81.24 124.13 29.05 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.477 ' HA ' ' HA2' ' A' ' 88' ' ' GLY . 50.4 mt-10 -93.16 22.89 4.7 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.335 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.47 ' HB3' ' NE2' ' A' ' 37' ' ' GLN . 35.3 tt0 -83.08 132.63 35.1 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 172.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 80.32 -84.48 1.36 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.49 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -112.38 110.41 2.6 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 84' ' ' GLU . . . -70.02 -31.34 69.56 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 121.238 -0.506 . . . . 0.0 114.0 -172.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.4 m -80.78 128.25 33.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.072 0.463 . . . . 0.0 111.689 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.8 -28.54 68.85 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.717 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 m -55.67 -36.38 67.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.801 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 -25.75 53.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.16 0.505 . . . . 0.0 110.34 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 19.6 mmtm -72.27 -51.03 22.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.791 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.6 p -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.986 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.7 t -59.16 -44.39 92.12 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.772 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.7 m -69.95 -44.62 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.796 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.3 mt -53.89 -47.51 63.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 121.156 0.503 . . . . 0.0 110.523 177.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.89 93.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.51 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 51.1 m -75.67 -38.66 58.56 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.315 -173.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.62 95.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.339 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 25.6 mtm -67.57 -41.05 84.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.415 ' HA ' ' CG2' ' A' ' 112' ' ' VAL . 25.0 t -57.38 -51.03 71.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.708 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.6 t30 -61.18 -41.18 96.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.05 177.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.45 92.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.633 -178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -61.74 -41.07 97.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.937 0.398 . . . . 0.0 111.236 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 102' ' ' SER . 93.7 mt -68.8 -29.26 67.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.474 -177.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 78.7 mm-40 -79.02 -26.18 43.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.888 0.375 . . . . 0.0 111.091 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 17.2 p -96.59 -60.31 1.63 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.428 HG23 ' H ' ' A' ' 111' ' ' VAL . 4.1 t -112.66 -20.18 11.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.791 0.329 . . . . 0.0 110.925 -176.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.55 -17.16 59.09 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.28 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 109' ' ' THR . 12.0 t -105.46 129.41 58.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 177.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.442 ' CG2' HD11 ' A' ' 117' ' ' ILE . 12.2 p -110.32 141.1 26.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.122 0.487 . . . . 0.0 110.572 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.476 ' O ' HG13 ' A' ' 117' ' ' ILE . 49.5 t-20 -101.38 96.94 7.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.173 -178.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.453 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.5 tp60 -65.19 -45.92 72.05 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.024 -176.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.453 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 88.5 Cg_exo -49.48 -47.13 23.71 Favored 'Trans proline' 0 C--N 1.359 1.103 0 C-N-CA 122.056 1.837 . . . . 0.0 112.003 173.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.487 ' O ' HG12 ' A' ' 120' ' ' ILE . 42.6 t80 -55.57 -49.54 72.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.474 -0.784 . . . . 0.0 111.129 175.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 113' ' ' ASN . 79.2 mt -62.59 -40.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.205 -177.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.68 -43.29 84.84 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.869 0.366 . . . . 0.0 110.107 177.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.452 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 6.4 tp10 -58.79 -47.07 86.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.536 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.6 mm -62.49 -46.05 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.333 -178.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -62.33 -26.9 68.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.989 0.423 . . . . 0.0 110.944 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.21 -51.52 17.46 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 176.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 93.9 mt -56.93 -51.11 70.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.399 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.0 t -55.07 -46.45 77.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.085 -178.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.0 t -65.88 -39.61 90.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.083 0.468 . . . . 0.0 110.345 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 20.4 tpp -75.17 -27.2 59.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.727 -173.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -81.72 -34.81 30.36 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.624 175.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.05 -52.33 29.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.902 179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -80.38 -25.14 39.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.01 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.74 59.69 3.69 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.968 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.87 6.53 58.7 Favored Glycine 0 C--N 1.331 0.275 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.937 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.45 4.24 17.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.192 0.52 . . . . 0.0 111.042 177.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -93.99 111.4 23.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.331 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 17.2 t70 62.96 78.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.257 0 O-C-N 124.005 0.816 . . . . 0.0 111.028 178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.77 129.61 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.512 175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.3 m 62.79 21.53 12.84 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.329 0.585 . . . . 0.0 110.658 -176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.662 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.075 -179.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 112.263 -0.335 . . . . 0.0 112.263 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -167.65 -45.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 124.81 -162.39 19.08 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.428 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -107.97 61.73 0.61 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.383 0.611 . . . . 0.0 109.724 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -153.8 161.87 41.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.081 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -77.89 116.25 18.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.949 0.404 . . . . 0.0 110.569 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.1 m -72.15 134.89 45.97 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.416 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.38 152.49 42.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.055 177.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.02 -20.3 71.21 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.651 2.234 . . . . 0.0 113.931 -173.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.422 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.7 m95 -90.73 7.07 41.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.707 0.289 . . . . 0.0 111.435 -174.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -68.44 -32.14 71.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.999 0.428 . . . . 0.0 111.445 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.0 m-80 -130.59 134.11 25.65 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.768 -178.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -60.74 -41.92 42.84 Favored 'Trans proline' 0 C--O 1.235 0.348 0 C-N-CA 122.822 2.348 . . . . 0.0 112.509 -177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.66 -36.76 83.66 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.684 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.9 tp -65.74 -43.37 89.17 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.16 -41.79 93.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.761 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' HA ' HG21 ' A' ' 49' ' ' VAL . 33.6 tt0 -63.12 -48.64 77.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.485 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.64 -38.54 90.66 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.051 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -63.86 -53.5 49.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.654 177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.2 mmt -59.7 -39.56 85.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.911 -178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -63.49 -50.43 69.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.321 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 m -64.47 -38.85 92.46 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.165 0.507 . . . . 0.0 110.51 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE1' HD12 ' A' ' 27' ' ' LEU . 38.8 t80 -58.58 -52.17 66.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.75 176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 23.2 ttm -55.43 -54.89 38.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.468 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -61.58 -44.0 97.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.408 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.421 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.31 -40.59 87.23 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.128 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.603 HD12 ' CE1' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -70.46 -36.12 73.73 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.993 0.425 . . . . 0.0 109.976 -178.385 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -65.53 -10.79 37.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.03 0.443 . . . . 0.0 110.936 179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.1 t -98.42 -8.78 26.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.292 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 61.9 mtt -95.42 161.61 27.32 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.253 -176.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 30' ' ' MET . 79.9 Cg_endo -79.96 179.56 6.13 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.634 2.223 . . . . 0.0 112.447 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 97.39 -42.24 2.18 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.125 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.515 ' CE1' ' HD2' ' A' ' 93' ' ' LYS . 96.1 m-85 -106.73 160.44 15.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.236 0.541 . . . . 0.0 111.437 -177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -111.96 157.0 21.22 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.214 173.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.08 -25.31 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.157 0.503 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 39' ' ' ASP . 23.3 p -64.28 -55.77 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.085 176.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.77 -30.98 70.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.282 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.4 -21.53 64.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.063 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 36' ' ' SER . 9.1 t70 -59.3 -43.39 92.61 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.211 0.529 . . . . 0.0 110.451 176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' ILE . 12.0 t70 -69.54 -42.4 74.66 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.165 -179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 40.2 mtt -60.52 -39.43 87.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.767 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -61.84 -34.81 76.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.304 0.573 . . . . 0.0 109.604 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 90.9 m -69.06 -43.11 75.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.577 175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 40' ' ' ASP . 72.4 mt -60.27 -39.28 80.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.53 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.91 -23.75 61.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.399 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -92.12 -52.77 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.476 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 35.3 t -58.84 -46.59 87.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.896 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -62.35 -49.05 77.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.142 0.496 . . . . 0.0 110.082 -176.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' HA ' ' A' ' 17' ' ' GLU . 92.0 t -62.28 -42.44 95.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.133 -179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -56.49 -40.18 74.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.303 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.4 m -61.19 -42.12 98.03 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.39 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 72.7 mt -73.76 -29.79 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.524 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 69.2 mm-40 -59.26 -46.89 87.28 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.9 0.381 . . . . 0.0 110.468 176.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -74.96 -33.87 61.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.642 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.6 tp -61.11 -54.84 39.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.382 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.22 -14.76 61.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 111.621 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.05 -31.38 20.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.974 0.416 . . . . 0.0 111.139 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -104.32 -0.29 28.37 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -177.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.99 -132.17 1.57 Allowed Glycine 0 N--CA 1.448 -0.523 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.569 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.2 tmm_? -147.47 152.54 38.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.569 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 4.9 m -80.42 91.25 5.69 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 120.975 0.417 . . . . 0.0 110.557 176.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -71.65 159.57 85.11 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.888 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -48.19 -41.73 34.04 Favored 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.006 2.471 . . . . 0.0 113.807 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -62.13 -20.8 64.46 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -76.97 -36.8 56.21 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -68.03 -33.59 74.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.933 -178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.53 -1.31 55.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.912 0.387 . . . . 0.0 111.434 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -106.16 -46.45 4.07 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.095 0.474 . . . . 0.0 110.284 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB3' ' HE1' ' A' ' 48' ' ' MET . 94.7 mt -65.22 -28.4 69.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.855 -177.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 -65.05 -34.09 77.6 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 111.011 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.7 mtm -88.63 -29.41 19.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.437 . . . . 0.0 110.164 178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.25 -57.01 14.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.828 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.435 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.2 p90 -73.17 -20.88 60.8 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.992 0.425 . . . . 0.0 110.451 -177.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.1 -36.41 66.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.5 t -65.24 -41.55 94.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.967 0.413 . . . . 0.0 110.562 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.2 m -68.17 -32.6 72.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 52.9 mtm -80.28 -24.14 40.24 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.949 -0.3 . . . . 0.0 110.799 178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.35 86.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.339 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 1.3 pt-20 -66.64 -33.73 76.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.994 0.426 . . . . 0.0 110.139 179.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.534 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 57.8 mt -71.27 -41.21 74.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.108 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.74 88.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.575 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.93 2.49 12.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.628 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.0 t -96.83 90.15 5.14 Favored 'General case' 0 C--N 1.313 -1.021 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 174.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -86.53 88.61 7.68 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.435 0.636 . . . . 0.0 110.644 -175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.442 ' HG2' ' H ' ' A' ' 86' ' ' GLY . 16.4 tt0 -99.49 -170.82 1.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.988 -1.006 . . . . 0.0 108.951 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' H ' ' HG2' ' A' ' 85' ' ' GLU . . . -53.62 -20.1 11.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 114.061 0.384 . . . . 0.0 114.061 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.83 -37.61 95.16 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.511 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.99 171.62 16.41 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.613 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 21.6 m -77.98 177.68 8.08 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.497 0.319 . . . . 0.0 111.003 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.527 ' HA ' ' CG ' ' A' ' 93' ' ' LYS . 9.1 tt -63.41 -30.22 71.39 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.727 0.298 . . . . 0.0 110.717 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 p -58.91 -27.38 65.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.224 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -93.52 -12.63 29.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.351 0.596 . . . . 0.0 111.04 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.527 ' CG ' ' HA ' ' A' ' 90' ' ' LEU . 30.1 mmtm -77.95 -50.18 12.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.189 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.43 HG21 ' OG ' ' A' ' 125' ' ' SER . 23.9 p -71.43 -29.42 64.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.806 -172.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 p -70.03 -38.31 75.84 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.848 0.356 . . . . 0.0 111.357 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 p -72.52 -43.76 63.13 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.473 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.454 ' O ' ' HG3' ' A' ' 101' ' ' MET . 79.6 mt -52.99 -48.65 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.523 175.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.493 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.4 -48.29 81.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.498 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.9 m -68.08 -40.05 82.78 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.186 -175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.53 -44.91 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.305 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 24.0 mtm -65.49 -39.59 92.07 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.818 0.342 . . . . 0.0 110.412 178.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.466 ' HA ' HG21 ' A' ' 112' ' ' VAL . 46.9 t -56.73 -52.78 63.66 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.463 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 27.3 t30 -64.86 -41.94 95.28 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.506 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.49 -49.5 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.886 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -29.09 62.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.815 0.34 . . . . 0.0 110.605 -176.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 81.5 mt -70.11 -31.66 69.33 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.876 0.37 . . . . 0.0 110.945 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 16.9 mm-40 -76.07 -43.59 42.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.061 0.457 . . . . 0.0 110.659 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.3 p -74.76 -58.98 2.95 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.406 -0.816 . . . . 0.0 112.809 -171.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.0 t -113.67 -13.11 12.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.028 0.442 . . . . 0.0 110.976 -174.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.59 -28.18 10.66 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.068 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.2 t -104.68 138.3 30.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.466 HG21 ' HA ' ' A' ' 102' ' ' SER . 8.7 p -118.82 142.97 31.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.809 0.338 . . . . 0.0 110.612 -179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -94.75 99.99 11.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.121 0.486 . . . . 0.0 109.823 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.512 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.7 tp60 -64.62 -48.73 73.24 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.136 -177.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.512 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 83.6 Cg_exo -49.21 -45.66 28.96 Favored 'Trans proline' 0 C--N 1.361 1.206 0 C-N-CA 122.261 1.974 . . . . 0.0 112.441 174.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.419 ' O ' HG12 ' A' ' 120' ' ' ILE . 57.4 t80 -55.06 -49.24 72.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.299 176.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' A' ' 112' ' ' VAL . 69.8 mt -66.29 -34.53 70.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -81.47 -7.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -92.23 -47.79 7.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.809 175.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.6 mm -58.8 -41.66 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.091 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.9 p -60.15 -28.69 68.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 111.364 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' ' 126' ' ' MET . 83.9 mm-40 -79.73 -45.93 17.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.706 178.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.87 -52.82 63.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.256 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 65.4 t -58.26 -46.41 88.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.879 0.371 . . . . 0.0 110.733 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.43 ' OG ' HG21 ' A' ' 94' ' ' THR . 22.3 m -64.12 -37.25 86.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.059 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.412 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -75.18 -47.71 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.006 -174.393 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -63.07 -34.34 77.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.133 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.15 -40.51 94.45 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -80.73 -27.81 36.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.754 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.412 ' HB1' ' HE2' ' A' ' 132' ' ' MET . . . -62.25 -46.1 90.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.014 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 61.74 45.73 95.66 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.039 -0.6 . . . . 0.0 112.988 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.412 ' HE2' ' HB1' ' A' ' 130' ' ' ALA . 56.9 mtm -117.34 14.22 14.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.112 0.482 . . . . 0.0 110.888 178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.05 -9.21 40.51 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 172.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -146.07 94.29 2.45 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.571 -1.195 . . . . 0.0 110.011 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.2 p -73.25 -32.53 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.984 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 6.8 p -86.44 82.94 7.78 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.492 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.543 -0.741 . . . . 0.0 110.386 -179.702 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.7 m -66.62 144.14 56.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.8 0.3 . . . . 0.0 110.789 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 102.95 41.74 2.22 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.434 -0.666 . . . . 0.0 111.434 -177.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -39.45 94.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.726 0.298 . . . . 0.0 111.353 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -94.48 4.08 54.32 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.943 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -109.54 32.88 4.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.206 0.527 . . . . 0.0 109.752 -177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.3 m -58.13 114.46 2.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.362 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.5 p -91.4 149.29 39.29 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 170.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -71.4 15.96 0.33 Allowed 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.539 2.159 . . . . 0.0 113.248 -175.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.497 ' HB2' HD22 ' A' ' 66' ' ' LEU . 13.1 m95 -107.3 3.57 25.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.47 -177.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.0 p -62.54 -32.5 73.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.152 0.501 . . . . 0.0 111.778 -176.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -133.94 127.86 19.43 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.542 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.93 -45.65 39.45 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.498 2.132 . . . . 0.0 112.227 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.1 -36.17 92.91 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 121.217 -0.516 . . . . 0.0 112.45 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.4 tp -69.53 -43.93 72.0 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 177.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.66 -42.45 92.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.471 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.38 -51.12 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.18 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.435 ' HB3' HG22 ' A' ' 108' ' ' THR . 12.1 m-80 -64.11 -37.28 86.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.461 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -61.18 -49.84 75.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.275 -0.421 . . . . 0.0 109.884 174.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' A' ' 24' ' ' MET . 17.7 mmt -63.26 -40.71 98.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.652 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.438 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -58.47 -51.6 69.16 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.744 0.307 . . . . 0.0 110.675 178.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -66.58 -35.31 79.89 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.026 0.441 . . . . 0.0 110.814 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -61.83 -58.56 7.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.316 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.522 ' HG3' ' N ' ' A' ' 25' ' ' GLN . 6.4 ptp -58.32 -44.63 88.71 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.581 -175.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.522 ' N ' ' HG3' ' A' ' 24' ' ' MET . 44.4 mt-30 -71.25 -39.37 71.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.956 -174.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.25 -39.26 88.11 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.71 176.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 38.1 tp -70.38 -31.02 68.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.998 0.427 . . . . 0.0 110.666 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' HD13 ' A' ' 38' ' ' LEU . 29.9 t -70.15 -6.77 36.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.055 -179.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.4 t -107.39 -9.87 15.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.345 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 45.5 mtt -91.71 150.28 40.64 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.089 -176.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.69 170.78 18.69 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 105.03 -38.23 3.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.308 178.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -105.78 -178.32 3.62 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.066 0.46 . . . . 0.0 110.939 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.539 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -144.86 173.46 11.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 177.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' H ' HG22 ' A' ' 34' ' ' THR . . . -54.95 -37.0 65.92 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -175.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -58.67 -54.26 49.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.471 0.653 . . . . 0.0 110.846 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.522 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 23.3 mp0 -67.01 -36.24 81.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.975 -175.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 34' ' ' THR . 73.8 mt -70.84 -28.72 64.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.38 -40.4 81.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.204 0.525 . . . . 0.0 109.75 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -65.98 -46.06 79.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.637 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -53.94 -41.3 67.58 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.423 176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.1 t -60.17 -38.34 82.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.591 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.3 m -69.98 -42.18 73.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.866 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -60.41 -44.27 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.932 0.396 . . . . 0.0 110.023 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -54.21 -46.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.353 176.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -65.13 -52.61 54.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.571 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.8 t -60.93 -38.57 86.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.623 -174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.7 mmm -62.82 -43.48 98.69 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.731 0.3 . . . . 0.0 110.45 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 45' ' ' ALA . 87.2 t -61.87 -48.07 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.197 177.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -56.4 -40.86 75.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.247 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.5 t -58.09 -49.08 78.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.491 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.0 mt -71.8 -32.94 46.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.642 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -63.32 -52.0 63.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.024 0.44 . . . . 0.0 110.155 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -65.16 -38.64 91.19 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.615 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.17 -44.62 96.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.279 178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.11 -15.22 61.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.816 0.341 . . . . 0.0 111.318 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.56 10.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.58 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -67.58 -45.25 76.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.835 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -172.66 -90.06 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.01 -1.091 . . . . 0.0 113.043 -177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.55 162.76 39.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.995 0.426 . . . . 0.0 111.153 -175.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 36.2 m -115.24 115.8 27.27 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.715 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 m -63.18 148.59 92.73 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.71 -34.24 83.25 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.922 2.415 . . . . 0.0 112.744 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.19 -25.94 64.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.48 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -63.7 -26.79 68.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.741 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.497 HD22 ' HB2' ' A' ' 10' ' ' TRP . 25.0 mt -71.92 -24.28 61.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.083 0.468 . . . . 0.0 110.303 -178.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.57 11.08 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.41 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.9 -41.67 3.95 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.789 173.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 72.8 mt -62.93 -30.06 71.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.205 177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -72.75 -33.49 66.38 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.896 -0.321 . . . . 0.0 111.013 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.429 ' HA ' HD21 ' A' ' 123' ' ' LEU . 19.7 ptp -85.36 -9.92 56.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.025 0.441 . . . . 0.0 110.504 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.02 -58.15 3.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.374 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.6 p90 -70.1 -28.73 65.64 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 120.934 -0.306 . . . . 0.0 110.731 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -33.23 75.27 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.621 177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -67.4 -44.31 79.15 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.245 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.5 m -69.48 -40.88 76.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 41.7 mtm -65.57 -28.7 69.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.603 -0.271 . . . . 0.0 110.966 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.77 -40.26 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.042 0.448 . . . . 0.0 110.872 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -73.79 -23.53 59.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.71 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.522 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 70.3 mt -81.15 -36.71 15.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.41 0.624 . . . . 0.0 110.163 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.41 -29.0 67.58 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.762 178.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.95 16.79 2.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.27 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.6 t -84.21 131.81 34.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.202 0.525 . . . . 0.0 109.86 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -102.09 21.79 14.24 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.846 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -96.61 132.37 42.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 174.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 76.76 -84.52 1.0 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.246 -0.502 . . . . 0.0 114.331 171.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.29 56.59 3.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.799 -0.715 . . . . 0.0 114.392 -167.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 52.15 -135.87 35.3 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 114.752 0.661 . . . . 0.0 114.752 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.9 m -88.78 -169.59 2.59 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.195 0.521 . . . . 0.0 111.766 -171.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 81' ' ' ALA . 7.8 tt -77.14 -22.0 53.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.878 -175.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.2 m -56.6 -44.29 80.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.786 0.327 . . . . 0.0 111.845 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.8 m -74.28 -25.3 59.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.963 0.411 . . . . 0.0 110.836 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.558 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 43.7 mmtm -64.23 -58.78 5.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.053 -177.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.3 p -68.99 -30.22 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.851 -173.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 36.4 t -60.76 -43.1 98.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.826 178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -69.93 -41.1 75.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.62 -179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -55.96 -43.94 76.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-O 120.99 0.424 . . . . 0.0 110.421 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -55.57 -49.42 72.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.957 -179.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 t -77.94 -32.26 51.45 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 -172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.91 91.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.243 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.97 -38.4 76.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.815 0.341 . . . . 0.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.403 ' OG ' HD13 ' A' ' 117' ' ' ILE . 27.2 m -58.38 -52.68 64.58 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-O 121.297 0.57 . . . . 0.0 110.125 177.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.49 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.7 t30 -59.21 -38.06 79.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.175 177.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.36 95.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.981 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.0 OUTLIER -79.2 -17.84 54.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.951 0.405 . . . . 0.0 111.086 -175.655 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.542 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 24.1 mt -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.789 0.328 . . . . 0.0 111.159 176.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 9.1 mm-40 -80.75 -28.35 36.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.988 0.423 . . . . 0.0 110.74 -178.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 18' ' ' ASN . 6.9 p -83.54 -60.06 2.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.209 -175.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.3 t -110.75 -38.24 5.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.793 0.33 . . . . 0.0 110.74 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 109.13 -11.69 34.06 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.297 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t -117.95 127.87 75.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.542 ' CG2' ' HG ' ' A' ' 106' ' ' LEU . 14.7 t -100.85 139.71 21.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 120.777 0.322 . . . . 0.0 111.271 -177.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.403 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 48.9 t-20 -88.4 101.0 13.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.128 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.546 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.8 tp60 -64.07 -51.62 61.62 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.838 -176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.1 Cg_exo -51.81 -40.47 65.88 Favored 'Trans proline' 0 C--N 1.363 1.335 0 C-N-CA 121.99 1.793 . . . . 0.0 112.581 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -56.5 -48.92 76.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.217 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.496 HD11 ' CG1' ' A' ' 112' ' ' VAL . 54.7 mt -69.62 -38.85 77.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.663 -178.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -64.29 -31.37 72.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.69 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -77.57 -53.67 7.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.633 178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.424 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.9 mm -54.84 -49.21 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -177.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.458 HG21 ' HB2' ' A' ' 98' ' ' ALA . 16.5 p -56.85 -37.16 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.975 0.417 . . . . 0.0 111.847 -175.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -88.55 -24.43 22.89 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 71' ' ' MET . 34.2 tp -69.61 -42.45 74.36 Favored 'General case' 0 N--CA 1.429 -1.518 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 120' ' ' ILE . 86.9 t -62.49 -44.98 99.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.882 173.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 15.2 t -58.89 -38.94 80.01 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.462 178.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -46.35 72.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.049 -176.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -69.7 -24.64 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.701 0.286 . . . . 0.0 111.166 -178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.73 -42.23 35.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.864 0.364 . . . . 0.0 111.097 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -79.32 -29.69 42.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.074 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -111.01 86.18 2.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -76.95 16.12 5.74 Favored Glycine 0 CA--C 1.518 0.254 0 CA-C-N 115.686 -0.688 . . . . 0.0 114.054 -172.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.52 76.07 1.06 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.686 176.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -87.46 70.91 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.407 0.622 . . . . 0.0 110.048 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -108.15 37.71 2.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.675 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.21 99.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.102 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.9 m 60.15 30.7 20.11 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.96 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.664 -0.684 . . . . 0.0 110.406 -179.687 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 111.989 -0.444 . . . . 0.0 111.989 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -75.85 105.32 6.83 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.04 0.448 . . . . 0.0 110.201 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.54 -127.01 3.18 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.966 -178.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -112.74 -46.71 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.161 0.505 . . . . 0.0 110.924 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.0 m -89.43 50.09 1.86 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.674 -174.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -140.65 20.29 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.043 0.449 . . . . 0.0 109.875 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.5 t -69.65 -31.2 69.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 111.934 -175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.05 150.67 73.68 Favored Pre-proline 0 C--N 1.303 -1.416 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.075 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.62 -7.43 12.72 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.394 2.063 . . . . 0.0 112.24 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.575 ' HB2' HD12 ' A' ' 66' ' ' LEU . 6.4 m95 -95.4 2.6 54.62 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.861 -175.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 p -72.63 -12.31 60.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.728 -175.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -149.3 123.94 4.79 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -53.63 -36.86 82.64 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 123.095 2.53 . . . . 0.0 112.254 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.45 -37.67 69.57 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.081 -0.581 . . . . 0.0 111.875 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 15' ' ' LEU . 27.8 mt -67.03 -47.31 71.78 Favored 'General case' 0 C--O 1.217 -0.617 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 176.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.4 -45.99 76.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.017 0.437 . . . . 0.0 110.599 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -58.4 -56.5 21.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.802 177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.525 ' HB3' HG22 ' A' ' 108' ' ' THR . 12.5 m-80 -62.3 -42.5 99.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.443 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -56.54 -52.39 64.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.919 176.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.46 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 15.0 mmt -61.5 -42.11 98.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.775 -178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.67 -49.01 78.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.789 0.328 . . . . 0.0 110.779 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.2 m -64.53 -40.2 95.18 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-O 120.974 0.416 . . . . 0.0 110.842 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 101' ' ' MET . 59.6 t80 -59.75 -55.85 29.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.059 178.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.0 ttm -57.19 -47.97 79.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.566 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 15.9 mm-40 -66.58 -47.6 72.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.516 -176.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -65.63 -33.0 84.94 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.16 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 46.1 tp -73.22 -36.68 66.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.91 0.386 . . . . 0.0 110.596 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.9 t -62.17 -19.69 63.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.021 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.3 m -98.45 0.62 45.58 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.563 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.441 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 57.7 mtt -94.56 143.53 26.42 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.876 0.37 . . . . 0.0 111.115 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -65.34 140.09 62.54 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.824 2.349 . . . . 0.0 112.362 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -28.98 6.6 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.101 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -107.11 129.42 54.83 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.497 0.665 . . . . 0.0 111.603 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -95.05 159.23 15.12 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.096 -0.956 . . . . 0.0 109.214 174.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.78 -33.62 56.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.5 m -55.66 -38.15 69.21 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.065 0.459 . . . . 0.0 111.08 176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -73.86 -44.15 56.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -67.88 -25.46 65.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.963 0.411 . . . . 0.0 110.417 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -60.99 -42.78 99.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.575 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' OD2' HD11 ' A' ' 80' ' ' ILE . 18.8 t70 -78.26 -40.19 37.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.363 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.6 mtt -57.64 -28.31 63.58 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.804 0.335 . . . . 0.0 111.612 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 t -62.28 -34.91 77.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.006 177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.2 m -69.41 -49.48 54.85 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.356 176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.1 mt -57.83 -47.25 86.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.918 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.505 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -50.85 -51.3 52.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.792 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -69.26 -47.68 63.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.582 -178.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.555 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 33.1 t -61.08 -35.48 77.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.018 -176.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.1 mmm -65.97 -46.4 78.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.994 -0.441 . . . . 0.0 110.076 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.524 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 96.9 t -60.77 -46.03 96.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.159 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.2 pt20 -61.11 -36.76 80.58 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.831 0.348 . . . . 0.0 111.247 -176.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -65.25 -39.67 92.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.006 0.431 . . . . 0.0 110.212 178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.3 mt -72.25 -30.33 35.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.128 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 80.9 mm-40 -61.3 -58.16 9.39 Favored 'General case' 0 C--O 1.226 -0.164 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 174.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.1 m -61.46 -27.8 68.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.374 -177.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.8 mt -79.55 -63.05 1.5 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.947 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.12 -22.2 63.03 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 -19.44 62.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.085 0.469 . . . . 0.0 110.799 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -98.91 6.21 46.88 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.062 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.28 -49.71 4.28 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.741 -0.663 . . . . 0.0 113.692 172.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.589 ' HD3' ' C ' ' A' ' 60' ' ' ARG . 0.2 OUTLIER -76.39 109.71 10.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.963 0.411 . . . . 0.0 110.909 -175.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.5 m -155.56 96.93 1.82 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.782 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.6 m -75.31 157.38 84.89 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.513 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -52.61 -28.73 38.16 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.828 2.352 . . . . 0.0 112.47 178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -55.56 -36.86 67.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.886 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 26.2 mmmt -65.1 -41.85 94.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.104 -177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.575 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -72.9 -24.73 60.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.789 -177.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -80.33 -25.88 39.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.992 0.425 . . . . 0.0 110.561 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.9 -31.99 45.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.185 0.516 . . . . 0.0 110.427 176.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 94.2 mt -72.27 -23.11 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.068 -177.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -74.37 -25.93 59.81 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.439 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 41.6 mtm -88.04 -24.11 23.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.303 0.573 . . . . 0.0 109.75 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.45 -57.34 12.6 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.589 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.49 ' O ' ' HG3' ' A' ' 77' ' ' MET . 12.4 p90 -70.64 -30.43 67.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.485 -177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.9 -41.83 95.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -65.64 -40.31 92.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.102 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 m -74.16 -29.13 61.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.797 0.332 . . . . 0.0 111.113 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 39.7 mtm -76.78 -24.11 52.9 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.773 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.18 72.28 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 123.246 0.341 . . . . 0.0 111.307 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.68 -35.82 79.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.152 0.501 . . . . 0.0 110.608 178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.497 HD11 ' OD2' ' A' ' 40' ' ' ASP . 58.5 mt -73.67 -41.16 55.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.771 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 90' ' ' LEU . . . -70.81 -25.31 62.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.864 179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -91.15 6.73 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.968 0.413 . . . . 0.0 111.451 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.2 t -65.71 126.04 27.19 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.034 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -83.65 -1.78 54.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.328 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -66.28 -43.56 86.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.086 0.469 . . . . 0.0 110.327 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -135.63 136.77 8.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.02 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.23 -34.12 3.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.841 177.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 83.61 -86.32 1.52 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.851 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.7 t -94.38 -171.23 2.46 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' A' ' 81' ' ' ALA . 1.8 mt -85.18 -14.24 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -174.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 35.1 t -47.9 -49.25 30.43 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 122.823 0.449 . . . . 0.0 112.133 -175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.2 m -83.2 -13.34 55.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.465 0.65 . . . . 0.0 111.086 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 3.1 mmmm -90.09 -46.92 8.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.617 -172.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.6 p -70.48 -35.18 73.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.977 0.418 . . . . 0.0 111.063 -176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.0 m -62.15 -38.7 90.02 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.409 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.8 p -75.74 -44.82 39.88 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 78.6 mt -50.9 -53.04 15.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.875 177.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.51 -39.28 79.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.898 -176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.7 m -76.41 -40.24 51.38 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.383 -174.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.42 92.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.15 0.5 . . . . 0.0 110.483 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.449 ' HG3' ' CE1' ' A' ' 23' ' ' PHE . 28.8 mtp -64.38 -41.34 96.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.06 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.48 ' HA ' HG11 ' A' ' 112' ' ' VAL . 34.0 t -61.93 -46.94 87.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.477 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -64.86 -41.95 95.27 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.977 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.82 -42.5 84.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.051 -176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.414 ' HB3' HG22 ' A' ' 112' ' ' VAL . 0.1 OUTLIER -66.66 -31.62 72.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.003 0.43 . . . . 0.0 111.195 -178.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.41 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 84.5 mt -75.53 -29.65 59.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.736 179.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.489 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 23.9 mm-40 -77.54 -21.53 52.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.002 0.429 . . . . 0.0 110.729 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.525 HG22 ' HB3' ' A' ' 18' ' ' ASN . 16.2 p -98.76 -62.58 1.22 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -173.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.445 HG23 ' H ' ' A' ' 111' ' ' VAL . 15.0 t -118.37 -20.38 8.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.754 -173.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.58 -2.1 53.17 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.317 -0.944 . . . . 0.0 113.629 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.445 ' H ' HG23 ' A' ' 109' ' ' THR . 4.3 p -133.76 134.54 56.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 120.975 0.416 . . . . 0.0 110.434 178.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.48 HG11 ' HA ' ' A' ' 102' ' ' SER . 4.1 t -112.01 141.49 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.953 -177.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -93.15 96.46 10.04 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 173.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.471 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.3 tp60 -67.6 -47.61 45.51 Favored Pre-proline 0 CA--C 1.538 0.511 0 CA-C-N 115.762 -0.654 . . . . 0.0 112.378 -175.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 74.3 Cg_exo -51.66 -43.66 49.36 Favored 'Trans proline' 0 C--N 1.361 1.188 0 C-N-CA 121.993 1.795 . . . . 0.0 112.051 176.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' ' 120' ' ' ILE . 61.5 t80 -52.01 -54.17 33.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.687 174.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.431 HG12 ' HE2' ' A' ' 101' ' ' MET . 75.5 mt -62.51 -41.21 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.488 -177.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.451 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 89.8 m-20 -68.06 -24.28 65.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 -178.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -91.33 -30.79 16.37 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.876 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 116' ' ' PHE . 26.5 mm -60.52 -45.55 96.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.548 177.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.9 p -59.76 -33.34 71.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.783 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 70.5 mt-30 -66.93 -50.43 62.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.425 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.42 -49.1 68.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.656 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 120' ' ' ILE . 86.3 t -54.36 -51.5 48.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.425 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.493 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 29.0 p -65.73 -38.01 87.98 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.316 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.27 -44.77 82.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.351 0.119 . . . . 0.0 111.15 -179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -72.0 -28.36 63.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.64 0.257 . . . . 0.0 110.988 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -72.67 -37.52 67.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 125' ' ' SER . 30.9 mm-40 -75.61 -44.53 42.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.079 177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.69 30.33 15.34 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.317 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -77.8 5.59 52.07 Favored Glycine 0 C--N 1.331 0.267 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.026 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 38.5 mtm -60.36 -45.98 91.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.053 0.454 . . . . 0.0 110.066 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -166.0 133.73 2.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.251 176.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -153.46 106.67 2.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.281 0.563 . . . . 0.0 110.413 -176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.88 -3.72 8.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.318 177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 36.6 t -71.73 -32.96 68.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.406 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.889 177.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.522 -0.631 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 m -76.62 80.73 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.133 0.492 . . . . 0.0 111.107 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.0 67.61 3.36 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.612 176.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -77.96 -8.28 57.93 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 -177.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t -84.94 95.88 9.19 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.429 ' HB3' HD21 ' A' ' 113' ' ' ASN . 26.9 m-70 -76.62 114.61 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.163 0.506 . . . . 0.0 110.63 -175.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.1 m -86.31 151.03 23.93 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.448 -178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 p -113.23 151.57 44.39 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.893 -178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.57 -16.85 43.12 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.377 2.052 . . . . 0.0 112.708 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.58 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 12.8 m95 -97.02 5.85 49.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.401 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -70.27 -12.5 61.63 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -151.21 126.42 4.78 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.482 ' HB3' ' HG2' ' A' ' 53' ' ' GLN . 52.2 Cg_exo -53.98 -33.46 72.78 Favored 'Trans proline' 0 CA--C 1.53 0.291 0 C-N-CA 123.021 2.48 . . . . 0.0 112.584 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.13 -42.34 67.65 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.769 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 15' ' ' LEU . 34.4 mt -64.2 -40.01 95.19 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -45.48 85.41 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.301 0.376 . . . . 0.0 110.688 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' HA ' HG21 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -63.47 -54.8 30.8 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.472 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.4 ' HB3' HG22 ' A' ' 108' ' ' THR . 0.9 OUTLIER -59.5 -44.16 93.16 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.197 -175.564 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -59.51 -49.59 77.19 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.579 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.418 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 10.7 mmt -61.83 -45.59 93.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.464 -178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 24' ' ' MET . 0.6 OUTLIER -63.46 -44.97 92.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.791 0.329 . . . . 0.0 111.358 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.0 m -64.77 -34.22 77.83 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.18 0.515 . . . . 0.0 110.482 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -65.72 -54.66 24.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.652 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 22.2 ptm -62.75 -38.55 90.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.945 -175.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -72.82 -42.25 64.02 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.999 -0.281 . . . . 0.0 110.942 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.49 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -67.62 -41.64 89.35 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.743 -0.741 . . . . 0.0 111.956 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.12 -32.18 73.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.952 0.406 . . . . 0.0 110.775 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.4 t -66.25 -20.54 66.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.257 0.551 . . . . 0.0 110.547 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.4 t -93.0 -7.27 46.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.477 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.7 mtt -97.2 153.75 38.35 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.55 -177.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.45 165.41 31.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.702 2.268 . . . . 0.0 112.673 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 98.62 -37.87 3.32 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.907 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 93' ' ' LYS . 55.6 m-85 -97.95 130.46 44.81 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.513 0.673 . . . . 0.0 111.999 -176.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.7 161.57 13.69 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.26 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.4 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -61.15 -38.57 86.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.139 0.495 . . . . 0.0 110.755 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -79.16 -34.75 42.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.564 -178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 83.5 mt -70.08 -23.2 63.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.733 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.64 -44.53 96.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.407 174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -73.88 -39.3 64.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.06 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 18.9 mmt -55.15 -39.85 69.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.067 0.46 . . . . 0.0 110.708 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.4 t -62.63 -35.35 79.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.294 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.56 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.4 m -68.79 -41.75 78.31 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.293 177.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.08 -46.19 97.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 176.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.418 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -64.12 -19.33 65.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.214 -178.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' ' 43' ' ' THR . 11.7 pt20 -98.47 -50.65 4.22 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.991 -178.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.9 m -80.68 -29.39 36.56 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -172.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.9 tpt -62.19 -42.3 99.15 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.277 0.56 . . . . 0.0 109.619 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 50.5 t -62.24 -48.63 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.351 177.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 52.4 mt-30 -56.57 -37.57 70.77 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.09 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -60.36 -46.02 91.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.248 177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.2 mt -70.38 -34.69 59.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.447 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 39.8 mt-30 -61.41 -29.43 69.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.128 0.49 . . . . 0.0 110.632 176.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.9 m -86.73 -44.39 11.83 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.182 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.87 -43.83 98.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.82 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.26 -10.13 59.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.807 0.337 . . . . 0.0 111.527 -178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -102.55 -68.28 0.84 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.493 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -93.85 -14.28 26.29 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -174.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -106.33 -158.34 21.92 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.42 -0.895 . . . . 0.0 111.916 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 61' ' ' THR . 0.1 OUTLIER -130.45 126.48 37.04 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.455 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 12.1 m -104.64 93.32 4.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.394 0.616 . . . . 0.0 111.076 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 m -83.71 160.3 58.93 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.053 176.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.08 -34.71 69.32 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.572 2.181 . . . . 0.0 112.411 178.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -63.09 -27.03 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.474 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -69.0 -37.21 78.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.176 0.512 . . . . 0.0 109.883 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.9 mm? -69.55 -16.23 63.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.483 177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -97.6 -8.2 29.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 71' ' ' MET . . . -101.63 -42.65 6.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.168 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -60.87 -23.84 65.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.994 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -72.76 -26.7 61.64 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.222 -178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 15.7 ptp -94.38 -23.1 17.92 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.929 0.395 . . . . 0.0 110.059 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.71 -55.52 26.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.783 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.497 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.3 p90 -71.67 -27.61 63.17 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.314 -178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.85 -47.55 77.54 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.631 177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -66.02 -37.79 86.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.298 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.2 t -65.58 -38.17 88.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 48.6 mtm -76.57 -28.75 56.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.01 178.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.7 -43.92 80.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -59.65 -46.02 90.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.546 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.2 mt -66.06 -41.06 88.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.857 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -67.24 -39.61 86.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.498 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.478 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -92.19 16.38 11.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.168 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 m -73.0 135.61 44.98 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -75.25 100.78 4.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -163.09 175.88 10.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.173 -0.922 . . . . 0.0 108.717 -175.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.36 128.52 18.82 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.671 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 132.54 23.58 0.8 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.346 -0.931 . . . . 0.0 113.347 177.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.93 -162.81 54.0 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 113.611 175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.2 p -101.42 -162.33 0.93 Allowed 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.565 0.346 . . . . 0.0 110.846 -176.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 8.9 mp -61.29 -22.6 65.01 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.611 0.226 . . . . 0.0 111.611 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 m -53.29 -35.28 59.92 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.341 0.401 . . . . 0.0 111.28 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -91.37 -46.9 7.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.461 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.592 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.2 mptt -54.11 -60.65 3.04 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 60.8 p -60.38 -39.89 88.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.832 -170.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -61.28 -41.46 96.98 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-O 120.952 0.406 . . . . 0.0 111.203 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.4 m -68.34 -45.05 73.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.605 177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 74.5 mt -53.46 -50.96 45.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 111.013 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.13 85.88 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.495 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 m -71.32 -37.88 71.73 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.045 -173.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -43.21 87.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.044 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.9 mtm -67.44 -39.52 85.4 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.662 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -56.01 -49.9 72.38 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.737 176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.44 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 1.4 t30 -68.32 -38.74 81.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.469 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.16 -50.17 74.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.88 -10.22 59.73 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.07 0.462 . . . . 0.0 111.28 -173.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.452 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 51.7 mt -80.0 -24.98 40.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.962 0.411 . . . . 0.0 110.358 174.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 30.0 mm-40 -81.7 -20.3 39.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.738 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.4 HG22 ' HB3' ' A' ' 18' ' ' ASN . 39.4 p -92.78 -63.57 1.21 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.021 -175.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 111' ' ' VAL . 3.3 t -114.23 -31.06 6.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.682 0.277 . . . . 0.0 111.21 -176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.93 -3.4 41.44 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.056 -1.068 . . . . 0.0 112.797 176.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.43 ' H ' HG23 ' A' ' 109' ' ' THR . 21.8 t -128.09 130.77 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 175.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 117' ' ' ILE . 2.4 t -114.07 158.31 14.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.893 0.377 . . . . 0.0 110.272 -178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.466 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 46.4 t-20 -97.52 98.7 10.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.729 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.519 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 27.6 tp60 -64.93 -48.86 70.89 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.375 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 77.7 Cg_exo -52.64 -39.68 75.27 Favored 'Trans proline' 0 C--N 1.357 1.024 0 C-N-CA 122.01 1.807 . . . . 0.0 112.074 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.55 ' O ' HG12 ' A' ' 120' ' ' ILE . 54.9 t80 -55.86 -55.96 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.448 175.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 112' ' ' VAL . 61.0 mt -59.57 -40.49 82.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.877 -178.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.407 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 84.5 m-20 -60.12 -52.92 63.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.366 177.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.33 -36.24 82.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.981 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.55 HG12 ' O ' ' A' ' 116' ' ' PHE . 23.5 mm -59.83 -45.65 94.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.98 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 80.8 p -62.52 -25.41 68.02 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.809 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.407 ' HG2' ' O ' ' A' ' 118' ' ' ASN . 30.1 mm-40 -71.12 -56.67 5.62 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 176.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 11.2 mp -51.36 -49.69 60.97 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.395 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 120' ' ' ILE . 95.7 t -56.51 -46.31 82.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.065 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 41.7 m -67.13 -39.9 86.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.795 0.331 . . . . 0.0 110.756 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -49.94 64.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.661 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -64.55 -39.28 93.48 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.716 0.293 . . . . 0.0 111.291 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.478 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -67.46 -51.37 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.642 -177.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -76.05 -37.93 57.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.087 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 56.0 37.56 28.98 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.171 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -69.25 -5.48 48.95 Favored Glycine 0 C--N 1.335 0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.2 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.9 ptp -71.54 -11.86 61.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.24 0.543 . . . . 0.0 110.59 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -81.68 102.12 10.51 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.399 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -113.52 75.66 0.93 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.189 0.519 . . . . 0.0 110.336 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.78 -3.16 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.44 0.638 . . . . 0.0 110.263 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 m -92.05 20.07 6.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.155 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.346 -0.835 . . . . 0.0 109.895 179.503 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 112.047 -0.421 . . . . 0.0 112.047 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -67.36 -57.97 5.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.92 0.391 . . . . 0.0 110.973 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 138.51 -101.4 0.32 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.008 178.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -85.98 77.15 9.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.106 0.479 . . . . 0.0 110.462 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -79.83 101.33 8.45 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.325 0.583 . . . . 0.0 110.228 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -126.15 23.93 6.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.576 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 t -63.09 -30.42 71.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.691 0.757 . . . . 0.0 111.045 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -147.61 151.21 38.83 Favored Pre-proline 0 C--N 1.308 -1.209 0 CA-C-N 114.397 -1.274 . . . . 0.0 109.07 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.32 4.83 3.55 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.544 2.162 . . . . 0.0 112.515 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.568 ' HB2' HD12 ' A' ' 66' ' ' LEU . 15.8 m95 -106.78 7.11 30.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.386 -175.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -71.08 -18.01 62.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.284 -177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -145.75 123.18 6.17 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.593 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.61 -35.61 77.95 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.072 2.515 . . . . 0.0 112.312 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.21 -37.73 95.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.853 -0.689 . . . . 0.0 111.765 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.9 mt -71.44 -44.92 63.92 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 176.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.16 76.69 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.383 0.427 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -62.4 -52.81 62.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.717 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' HB3' HG22 ' A' ' 108' ' ' THR . 11.8 m-80 -61.42 -43.24 99.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.443 -179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -58.74 -51.73 68.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.946 176.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.548 ' O ' ' HG2' ' A' ' 24' ' ' MET . 10.9 mmt -59.4 -50.0 75.64 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -58.28 -37.83 75.77 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.367 -177.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.7 m -75.01 -39.47 61.14 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-O 121.072 0.463 . . . . 0.0 110.539 178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.505 ' CE1' HD12 ' A' ' 27' ' ' LEU . 31.1 t80 -60.63 -56.78 17.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.431 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.548 ' HG2' ' O ' ' A' ' 20' ' ' MET . 23.1 ptm -58.42 -44.23 89.01 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -175.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 14.3 mm-40 -72.85 -38.31 67.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.389 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.63 -35.5 74.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.576 -0.821 . . . . 0.0 111.752 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 23' ' ' PHE . 0.7 OUTLIER -70.25 -34.43 72.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.857 0.361 . . . . 0.0 110.325 -179.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.4 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 42.7 m -65.5 -17.12 64.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.159 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.5 t -91.64 -11.5 36.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.37 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 47.0 mtt -91.41 150.78 41.89 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.8 -177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.12 165.13 33.55 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.576 2.184 . . . . 0.0 112.553 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 100.84 -20.09 49.43 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.017 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 93' ' ' LYS . 82.3 m-85 -123.34 151.07 42.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.121 0.486 . . . . 0.0 111.029 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.467 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -112.81 160.35 18.07 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.636 171.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.87 -32.84 47.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 111.234 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 m -62.15 -29.4 70.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.477 177.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.475 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 73.6 mt-30 -85.09 -43.56 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 110.24 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 34' ' ' THR . 1.1 mm? -66.69 -21.16 66.09 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.637 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.54 -46.27 80.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.623 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' O ' HG13 ' A' ' 44' ' ' ILE . 35.6 t70 -74.03 -36.87 64.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.247 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.5 mtt -59.4 -34.16 72.11 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.434 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.3 t -58.86 -45.48 90.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.13 0.491 . . . . 0.0 109.861 175.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.563 ' O ' ' HG3' ' A' ' 46' ' ' GLN . 93.9 m -67.54 -42.35 82.84 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.171 178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 40' ' ' ASP . 73.7 mt -57.76 -49.21 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.09 0.472 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.45 73.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.187 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.64 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -65.26 -33.2 75.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.359 -175.267 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.429 ' CA ' HE21 ' A' ' 46' ' ' GLN . 14.0 t -84.22 -34.35 23.91 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.561 0.219 . . . . 0.0 111.283 -176.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.482 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -61.22 -45.9 92.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.941 0.401 . . . . 0.0 109.974 -178.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -59.33 -45.2 93.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.171 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.64 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 63.2 mm-40 -64.0 -32.01 73.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.85 0.357 . . . . 0.0 110.752 -176.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -61.98 -40.87 97.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.205 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.2 mt -77.53 -32.5 18.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.525 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -57.37 -50.7 72.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.259 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -73.14 -25.0 60.66 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.066 0.46 . . . . 0.0 110.884 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 tt -72.33 -52.01 18.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.929 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.43 -2.94 31.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.164 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.15 -28.01 67.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.895 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -95.34 -15.45 23.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.994 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 131.88 -90.42 0.28 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.031 -1.081 . . . . 0.0 114.322 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.13 155.62 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.658 0.614 . . . . 0.0 112.658 -167.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 7.5 t -136.15 -43.77 0.64 Allowed 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.886 175.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.0 m 73.03 147.89 0.12 Allowed Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 123.371 0.668 . . . . 0.0 111.722 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -50.38 -29.23 23.17 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 124.055 3.17 . . . . 0.0 114.554 -172.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -58.6 -33.19 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.658 0.266 . . . . 0.0 111.621 -178.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 mmmt -73.33 -39.91 64.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.071 0.462 . . . . 0.0 110.702 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 10' ' ' TRP . 0.6 OUTLIER -71.85 -22.63 61.5 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.305 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -83.44 4.7 26.58 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.623 176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -119.31 -34.13 3.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.072 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.482 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 85.8 mt -66.7 -27.83 67.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.008 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -66.8 -41.27 87.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.812 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 22.0 ptp -79.77 -20.25 46.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.851 0.358 . . . . 0.0 110.316 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.99 -57.79 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.096 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -70.29 -26.69 63.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.218 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.12 -45.24 81.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.746 177.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.0 t -67.3 -30.29 70.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.573 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -70.96 -44.02 66.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.998 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 48.1 mtm -71.77 -24.22 61.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.74 178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.73 72.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.188 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -59.12 -38.57 79.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 111.106 177.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 62.4 mt -74.79 -42.67 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.724 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.54 -29.29 70.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.214 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -91.87 10.73 27.49 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.049 0.452 . . . . 0.0 111.242 178.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.4 t -97.52 111.71 23.86 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -93.27 66.03 3.95 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.202 0.525 . . . . 0.0 110.593 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' HB3' HE21 ' A' ' 37' ' ' GLN . 2.5 tm-20 -80.55 -79.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.003 178.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -115.64 44.74 1.41 Allowed Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 175.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.87 116.14 0.41 Allowed Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.26 -99.66 0.25 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.63 -172.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.2 m -51.87 145.36 9.91 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.511 0.672 . . . . 0.0 112.681 -172.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.438 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.8 OUTLIER -68.67 -13.87 62.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 114.867 -1.06 . . . . 0.0 110.461 -177.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -49.26 -52.01 30.01 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.438 -0.801 . . . . 0.0 112.022 -178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 5.2 m -67.93 -40.25 83.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.1 0.476 . . . . 0.0 110.814 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 33' ' ' PHE . 6.1 mttt -58.61 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.507 -174.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.438 HG23 ' CD2' ' A' ' 90' ' ' LEU . 2.5 p -61.19 -40.75 95.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.707 0.289 . . . . 0.0 111.379 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 11.6 m -60.5 -44.23 96.2 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.421 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 42.6 m -68.77 -45.37 71.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 87.5 mt -56.63 -47.68 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.023 0.44 . . . . 0.0 110.829 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.62 76.9 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.621 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.4 m -68.76 -38.55 80.17 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -173.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.49 86.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.282 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.59 -39.4 91.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.81 0.338 . . . . 0.0 110.46 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.415 ' HA ' HG11 ' A' ' 112' ' ' VAL . 33.0 t -59.22 -47.41 85.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.489 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -66.77 -44.54 81.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.805 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.72 -50.11 71.23 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.95 -176.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' HB3' HG22 ' A' ' 112' ' ' VAL . 1.2 t80 -77.39 -16.87 58.62 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.961 0.41 . . . . 0.0 110.971 -175.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.501 ' HG ' HG21 ' A' ' 112' ' ' VAL . 19.4 mt -73.91 -30.84 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.42 174.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.48 -37.72 56.42 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.176 0.512 . . . . 0.0 110.462 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.441 HG22 ' HB3' ' A' ' 18' ' ' ASN . 36.2 p -75.75 -60.36 2.35 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.478 -173.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.0 t -114.37 -30.26 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.94 -0.304 . . . . 0.0 111.209 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.27 -14.76 58.12 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.062 176.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.435 ' H ' HG23 ' A' ' 109' ' ' THR . 4.7 t -118.62 120.46 64.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 105' ' ' PHE . 2.9 t -114.88 151.2 16.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-O 120.924 0.392 . . . . 0.0 110.763 -177.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.442 ' OD1' ' HG2' ' A' ' 115' ' ' PRO . 52.6 t-20 -92.35 104.44 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.058 -179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.421 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 27.5 tp60 -65.01 -54.61 33.02 Favored Pre-proline 0 CA--C 1.539 0.521 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.978 -175.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.442 ' HG2' ' OD1' ' A' ' 113' ' ' ASN . 3.0 Cg_endo -51.43 -39.76 63.6 Favored 'Trans proline' 0 C--N 1.357 1.012 0 C-N-CA 122.237 1.958 . . . . 0.0 112.517 175.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.512 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.0 t80 -53.53 -53.28 53.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.507 174.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.446 HD11 ' CG1' ' A' ' 112' ' ' VAL . 79.3 mt -59.81 -41.08 84.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.093 -178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -66.53 -49.37 66.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.075 0.464 . . . . 0.0 110.335 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.439 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 32.8 tt0 -58.71 -37.83 76.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.307 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 116' ' ' PHE . 22.0 mm -60.4 -51.47 72.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.121 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 32.0 p -60.71 -32.4 71.65 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.163 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -73.1 -39.5 65.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.621 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 85.7 mt -61.99 -51.88 66.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.286 175.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.4 t -54.75 -48.22 73.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.574 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 28.7 t -62.01 -41.62 98.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.568 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -48.04 77.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.968 -176.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -71.83 -36.62 70.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.096 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.421 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -68.09 -42.71 79.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.322 -178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.83 -47.05 64.21 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.472 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 55.91 27.91 11.77 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.608 177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -87.7 57.29 4.41 Favored Glycine 0 N--CA 1.449 -0.498 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.042 -177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 17.2 mmt -76.36 -37.82 56.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.302 0.572 . . . . 0.0 109.741 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -81.75 129.43 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.198 176.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -106.55 4.66 28.35 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 32.9 m -109.33 -12.56 11.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.882 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 19.0 m -98.75 -7.19 28.06 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.267 0.556 . . . . 0.0 110.288 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.292 -178.91 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 112.178 -0.369 . . . . 0.0 112.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 m -73.76 -18.68 60.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.819 0.342 . . . . 0.0 110.828 -178.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.47 0.26 88.35 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.147 -0.549 . . . . 0.0 112.656 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -81.34 76.06 8.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.555 0.693 . . . . 0.0 109.283 176.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 m -102.23 122.18 43.7 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.23 -0.896 . . . . 0.0 111.254 -174.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -121.34 23.32 10.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.546 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.3 m -66.69 102.02 0.87 Allowed 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.776 -178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -80.53 143.14 54.65 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.879 -178.081 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 21.8 Cg_exo -65.61 2.68 1.46 Allowed 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 123.081 2.521 . . . . 0.0 113.104 -176.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.559 ' HB2' HD22 ' A' ' 66' ' ' LEU . 8.2 m95 -93.5 1.75 56.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.614 -176.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.0 p -59.76 -36.79 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 0.0 111.086 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -128.31 132.72 24.51 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.538 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -58.83 -32.22 96.78 Favored 'Trans proline' 0 N--CA 1.464 -0.229 0 C-N-CA 122.48 2.12 . . . . 0.0 111.926 178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.89 -45.54 87.5 Favored Glycine 0 N--CA 1.449 -0.437 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.935 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.2 mt -64.46 -38.44 91.03 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.493 -0.188 . . . . 0.0 110.493 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.72 78.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.435 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -61.08 -50.53 72.91 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.717 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.431 ' HB3' HG22 ' A' ' 108' ' ' THR . 0.9 OUTLIER -60.92 -48.97 79.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.942 -176.776 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -58.89 -48.76 80.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.759 178.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 7.8 mmt -60.02 -43.88 94.99 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -69.17 -42.9 75.26 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.649 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.4 m -68.6 -37.09 79.53 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-O 120.819 0.342 . . . . 0.0 110.652 177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.452 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 53.2 t80 -62.74 -52.56 62.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.253 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.2 ttm -54.87 -52.55 62.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.48 -178.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -66.81 -44.6 80.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.057 -177.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -67.99 -23.56 74.42 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.481 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.5 tp -78.46 -26.48 46.13 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.93 0.395 . . . . 0.0 110.016 179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.3 t -73.38 -14.02 61.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.065 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -89.43 -3.39 58.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.425 177.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.506 ' HG3' HD12 ' A' ' 27' ' ' LEU . 21.7 mmt -91.22 147.41 35.52 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.32 -17.31 24.25 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.152 2.568 . . . . 0.0 113.036 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -65.95 -32.48 82.74 Favored Glycine 0 N--CA 1.45 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 113.553 -175.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' A' ' 93' ' ' LYS . 91.7 m-85 -114.1 157.44 22.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.096 0.474 . . . . 0.0 111.896 -173.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.46 154.69 19.99 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 171.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.85 -38.85 51.61 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -60.57 -29.99 69.52 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.414 HE21 ' CD ' ' A' ' 85' ' ' GLU . 2.7 mp0 -79.27 -33.45 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.188 -0.205 . . . . 0.0 111.219 -177.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -69.7 -27.03 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.006 0.432 . . . . 0.0 110.0 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.98 -37.78 88.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.54 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -71.62 -40.48 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.04 0.448 . . . . 0.0 110.095 177.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.2 mtt -60.65 -21.13 62.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.02 176.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.0 t -60.46 -37.25 80.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.171 0.51 . . . . 0.0 109.71 175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 70.2 m -68.94 -43.54 74.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.571 176.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.0 mt -60.32 -43.07 92.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.084 0.469 . . . . 0.0 109.953 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -57.26 -53.86 53.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.85 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.3 pt20 -64.75 -39.4 93.56 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.404 -175.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 t -63.13 -45.79 90.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.816 0.341 . . . . 0.0 110.755 -176.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.9 mmm -64.44 -43.07 95.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.779 -179.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 45' ' ' ALA . 88.8 t -63.01 -53.3 48.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.207 -179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.46 -26.97 68.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.817 0.341 . . . . 0.0 111.216 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.3 t -64.35 -33.23 75.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.372 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.88 -32.88 5.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -54.09 -46.28 72.03 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.052 0.453 . . . . 0.0 110.479 176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 p -74.01 -43.46 57.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.02 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 52.2 tp -59.9 -43.12 95.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.646 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.89 -20.79 55.83 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.848 0.356 . . . . 0.0 111.332 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.57 -42.28 29.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.403 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -75.32 -15.94 60.45 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.563 -176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 163.8 -106.06 0.27 Allowed Glycine 0 N--CA 1.444 -0.822 0 C-N-CA 120.311 -0.947 . . . . 0.0 112.605 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.517 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 4.0 ppt_? -125.2 173.17 8.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.505 0.669 . . . . 0.0 112.551 -173.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.6 m -122.88 136.27 54.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.695 179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.4 m -86.96 146.44 40.67 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 177.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.5 -27.79 83.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.47 2.113 . . . . 0.0 111.831 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -60.82 -31.67 71.07 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.703 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 47.8 mmtt -62.37 -44.27 96.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.452 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 10' ' ' TRP . 12.7 mt -69.01 -27.83 66.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.135 -174.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -88.85 3.4 51.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.11 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -111.67 -42.29 3.87 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.168 0.508 . . . . 0.0 109.834 174.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 93.8 mt -65.36 -26.62 68.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.31 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -69.38 -35.71 76.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.945 0.402 . . . . 0.0 110.918 -178.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.0 mtm -85.29 -28.24 25.44 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.73 -58.6 7.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.89 -176.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.486 ' O ' ' HG3' ' A' ' 77' ' ' MET . 17.2 p90 -67.61 -31.04 70.8 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.419 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.56 -41.3 96.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.508 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -64.11 -41.11 97.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.388 179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.1 m -65.21 -41.7 94.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.922 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.486 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.9 mtm -74.22 -24.81 59.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.046 -178.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.14 -42.03 80.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.822 0.344 . . . . 0.0 111.377 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -67.45 -31.93 72.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.797 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.2 mt -76.09 -36.64 31.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.437 0.637 . . . . 0.0 110.124 177.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -64.13 -28.16 69.57 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.407 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.02 11.69 19.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 111.394 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.5 t -79.49 130.3 35.27 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.616 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -89.68 120.76 31.23 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.414 ' CD ' HE21 ' A' ' 37' ' ' GLN . 7.8 pt-20 -151.36 -166.13 2.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.936 -168.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -86.92 37.47 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.121 -0.562 . . . . 0.0 112.388 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -143.99 -159.6 8.09 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.976 -177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -73.85 160.05 53.25 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.945 -0.645 . . . . 0.0 112.981 -177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.7 m -73.59 -176.74 2.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.555 0.217 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.2 tt -59.69 -32.66 70.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.764 -0.198 . . . . 0.0 110.802 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -57.8 -37.69 74.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.115 0.483 . . . . 0.0 110.48 177.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -79.95 -34.6 38.67 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.983 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 40.3 mmtm -54.1 -60.34 3.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.706 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 p -61.57 -40.58 95.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.418 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.3 m -62.21 -35.07 77.75 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 44.8 m -70.9 -45.5 64.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.328 177.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 83.8 mt -56.59 -50.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.209 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.506 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -55.26 -54.05 48.3 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.443 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.4 m -64.45 -39.09 93.17 Favored 'General case' 0 N--CA 1.44 -0.936 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.256 -175.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.0 -45.1 83.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.129 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 34.2 mtm -66.69 -46.98 73.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.644 0.259 . . . . 0.0 110.589 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.421 ' OG ' HD13 ' A' ' 117' ' ' ILE . 27.6 m -52.43 -53.28 47.34 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.732 178.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.558 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 2.7 t30 -64.7 -39.03 92.95 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.641 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.26 -51.12 60.68 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.488 ' HB3' HG22 ' A' ' 112' ' ' VAL . 3.1 t80 -71.64 -17.27 62.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.076 0.465 . . . . 0.0 110.977 -174.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.7 mt -74.19 -20.1 60.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.675 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 63.2 mm-40 -91.1 -29.42 17.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 18' ' ' ASN . 34.8 p -78.12 -57.91 3.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.852 -175.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.6 t -119.59 -23.46 6.57 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.384 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 102.38 -12.7 56.99 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 120.275 -0.964 . . . . 0.0 113.538 173.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 109' ' ' THR . 23.6 t -128.13 130.91 69.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 105' ' ' PHE . 2.0 t -123.07 164.86 19.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.48 ' HB2' ' HB3' ' A' ' 116' ' ' PHE . 2.5 m-80 -100.12 134.08 43.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.938 -175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 22.0 tp60 -66.13 -50.66 49.79 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.694 177.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 23.5 Cg_exo -64.29 -34.26 56.33 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.778 1.652 . . . . 0.0 112.276 -178.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 113' ' ' ASN . 75.2 t80 -58.26 -55.53 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.548 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.483 HD11 HG11 ' A' ' 112' ' ' VAL . 43.3 mt -64.88 -37.02 79.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.195 -175.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -66.13 -47.87 72.69 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.135 175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.659 ' O ' HD22 ' A' ' 123' ' ' LEU . 2.7 tp10 -56.17 -51.45 67.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.17 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.466 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.8 mm -55.27 -47.73 77.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.506 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 34.5 p -59.91 -28.53 67.67 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.902 0.382 . . . . 0.0 111.131 179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.425 ' O ' ' HG2' ' A' ' 126' ' ' MET . 28.2 mt-30 -72.18 -49.8 32.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 177.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -54.8 -52.89 61.24 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.336 175.505 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 120' ' ' ILE . 92.0 t -52.32 -45.92 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 O-C-N 123.333 0.395 . . . . 0.0 111.063 -179.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.9 m -65.1 -45.95 83.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.976 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 32.3 mmt -61.95 -50.62 71.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.08 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -65.44 -31.94 73.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.457 -177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.45 -56.29 13.29 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 -178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -64.62 -42.95 95.16 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.82 85.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.784 0.326 . . . . 0.0 111.294 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 72.37 39.37 57.25 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.868 -178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.9 ptp -165.17 158.73 16.87 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -92.17 156.35 17.39 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -82.54 -13.15 57.11 Favored 'General case' 0 C--O 1.236 0.342 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -173.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 24.8 t -79.46 55.16 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 122.243 1.021 . . . . 0.0 109.356 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.1 m -155.8 17.64 0.38 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.362 -1.29 . . . . 0.0 108.891 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.109 -175.401 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.684 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -97.72 3.54 50.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.871 0.367 . . . . 0.0 110.616 178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.95 88.17 1.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.14 -179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -123.26 143.07 50.29 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 m -66.55 111.55 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.92 0.39 . . . . 0.0 111.076 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -121.96 106.29 11.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.347 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.3 t -114.8 -17.65 11.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.025 0.917 . . . . 0.0 110.509 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -157.15 167.37 14.66 Favored Pre-proline 0 C--N 1.312 -1.06 0 CA-C-N 114.392 -1.276 . . . . 0.0 110.022 -175.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -87.09 -2.82 7.99 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.238 1.959 . . . . 0.0 112.387 174.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 13.2 m95 -102.9 1.8 34.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.81 -175.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.96 -3.51 35.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 111.463 -177.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -155.2 135.09 8.17 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.468 ' HG3' ' HB2' ' A' ' 56' ' ' ALA . 37.6 Cg_endo -67.51 -33.2 29.71 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.285 -174.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.62 -39.95 67.04 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 15' ' ' LEU . 39.2 mt -67.4 -38.14 84.18 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.983 -0.108 . . . . 0.0 110.743 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.69 -53.11 60.6 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.46 0.475 . . . . 0.0 111.406 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.15 -38.27 81.96 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.317 -177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.423 ' HB3' HG22 ' A' ' 108' ' ' THR . 15.5 m-80 -68.59 -43.87 75.57 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.687 0.28 . . . . 0.0 110.507 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -57.78 -51.42 69.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.39 174.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.9 mmt -58.23 -44.69 88.34 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.904 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -65.96 -46.49 77.93 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.297 -179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -63.64 -37.36 87.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.244 0.545 . . . . 0.0 110.42 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.14 -56.81 12.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.573 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 9.4 tmm? -61.91 -46.35 89.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.824 -176.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -67.66 -36.21 80.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.747 0.308 . . . . 0.0 111.191 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -74.76 -34.09 54.12 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.052 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.6 tp -74.89 -30.67 61.36 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.932 0.396 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.2 t -64.82 -17.04 63.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.976 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 p -101.97 0.59 35.49 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.442 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 65.4 mtt -94.85 150.57 38.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.65 0.262 . . . . 0.0 110.787 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.97 167.99 23.12 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 123.01 2.473 . . . . 0.0 112.73 179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 93.46 -43.52 2.49 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.466 178.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -91.45 150.68 21.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.243 0.545 . . . . 0.0 111.088 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.417 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.2 OUTLIER -111.83 156.69 21.6 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 173.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.22 -33.8 54.42 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 m -57.42 -43.75 84.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.913 0.387 . . . . 0.0 111.281 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.417 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 17.8 mp0 -65.17 -38.9 91.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.3 mm? -69.22 -27.92 65.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.361 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -65.63 -41.03 93.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.151 0.501 . . . . 0.0 109.697 175.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -67.69 -42.63 81.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.746 176.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 45.5 mtt -63.54 -26.27 68.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.714 177.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -63.2 -34.45 77.68 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 176.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.9 m -63.55 -42.9 98.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.155 0.503 . . . . 0.0 110.266 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.6 mt -63.55 -41.99 94.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.16 177.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.85 -17.63 63.34 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.222 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -89.54 -57.92 2.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.931 0.396 . . . . 0.0 110.732 177.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 6.2 t -67.59 -35.41 78.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.779 -170.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.2 mmm -64.74 -43.61 92.81 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.257 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 70.8 t -67.18 -46.45 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.213 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 47' ' ' SER . 3.1 pt20 -59.86 -36.17 76.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 110.796 -176.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 t -63.21 -39.26 94.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.206 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -80.0 -22.27 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.596 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.477 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 81.9 mm-40 -66.66 -49.7 65.33 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 172.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -66.71 -26.65 67.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.261 0.553 . . . . 0.0 110.098 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD11 HG23 ' A' ' 61' ' ' THR . 9.5 tt -64.52 -36.54 84.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.074 175.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' HB2' ' HG3' ' A' ' 13' ' ' PRO . . . -66.9 -29.83 69.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.065 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.59 -35.41 80.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.006 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -88.96 1.92 54.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 88.62 -65.01 3.38 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 114.053 169.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.458 ' HD2' ' C ' ' A' ' 60' ' ' ARG . 6.3 ppt_? -92.58 168.13 11.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.863 0.363 . . . . 0.0 111.882 -171.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.526 HG23 HD11 ' A' ' 55' ' ' LEU . 5.1 m -116.37 -62.5 1.58 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.35 178.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m 79.48 131.5 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.444 0 O-C-N 124.212 0.945 . . . . 0.0 110.539 -174.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.44 -27.02 56.62 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.798 2.999 . . . . 0.0 113.976 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -60.21 -31.48 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.665 0.269 . . . . 0.0 111.379 -178.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 61' ' ' THR . 23.3 mmmt -65.32 -41.3 94.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.069 0.461 . . . . 0.0 110.364 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.552 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.2 mm? -70.41 -25.02 63.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.259 -175.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -97.88 6.5 47.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.947 0.403 . . . . 0.0 111.076 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.82 -47.2 3.07 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.252 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.4 mt -64.27 -27.16 68.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.481 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -66.7 -34.61 78.23 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.728 0.299 . . . . 0.0 111.17 -177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.4 mtm -85.83 -29.26 23.89 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.65 -58.76 7.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.56 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 77' ' ' MET . 9.4 p90 -70.49 -27.77 64.46 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.459 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.56 94.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.703 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 t -65.92 -41.46 91.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.726 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 m -66.97 -36.71 82.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.929 0.395 . . . . 0.0 110.813 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.8 mtm -73.0 -28.97 62.69 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.811 178.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.45 -45.25 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.34 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -64.11 -37.14 86.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.497 178.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.5 mt -69.75 -38.57 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.495 177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.462 ' HB1' ' CD2' ' A' ' 90' ' ' LEU . . . -66.77 -35.63 80.53 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.501 -178.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.39 12.58 5.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.161 0.505 . . . . 0.0 111.497 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 t -88.61 123.81 33.44 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.49 52.36 0.83 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -169.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' HB2' HE22 ' A' ' 37' ' ' GLN . 1.5 mp0 -82.8 -153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -49.96 100.25 0.04 OUTLIER Glycine 0 C--N 1.336 0.56 0 O-C-N 123.169 0.293 . . . . 0.0 113.057 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 135.59 -50.45 0.85 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -175.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 74.56 -75.74 1.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 CA-C-N 115.418 -0.391 . . . . 0.0 114.068 174.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 p -53.97 137.56 39.04 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -169.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.482 ' O ' HD22 ' A' ' 90' ' ' LEU . 1.9 tm? -81.79 -32.92 31.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.356 174.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m -54.36 -42.93 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.041 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 6.9 m -71.32 -23.76 61.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.416 -178.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 29.4 mmtm -66.36 -53.56 34.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.144 0.497 . . . . 0.0 110.315 -178.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.5 p -64.29 -39.47 94.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.728 -173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.1 m -61.23 -39.95 92.2 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-O 120.902 0.382 . . . . 0.0 111.251 178.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.5 m -69.93 -45.28 67.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.109 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 101' ' ' MET . 77.2 mt -53.73 -44.87 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.809 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.28 -50.13 72.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.476 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.2 m -73.8 -36.63 65.02 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.139 -173.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.57 -43.22 84.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.117 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 30.7 mtm -68.32 -40.36 81.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 110.557 178.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.43 ' HA ' HG11 ' A' ' 112' ' ' VAL . 8.6 t -62.28 -45.2 94.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.841 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 4.5 t30 -64.38 -36.34 83.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.928 177.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.73 -45.43 93.98 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.613 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -65.29 -34.0 77.32 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.804 0.335 . . . . 0.0 111.433 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.406 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 82.5 mt -74.38 -19.22 60.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.539 -179.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 33.8 mm-40 -85.4 -31.14 23.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.53 176.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.423 HG22 ' HB3' ' A' ' 18' ' ' ASN . 17.1 p -88.31 -65.76 0.98 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.461 -172.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 111' ' ' VAL . 5.4 t -115.42 -18.03 11.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.68 0.276 . . . . 0.0 111.402 -175.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.7 7.11 66.95 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.91 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.447 ' H ' HG23 ' A' ' 109' ' ' THR . 2.6 p -133.17 127.22 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.205 0.526 . . . . 0.0 110.661 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.514 ' CG1' HD11 ' A' ' 117' ' ' ILE . 4.2 t -110.92 145.68 16.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.857 -176.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.49 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.9 t30 -104.39 108.22 19.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.188 0.518 . . . . 0.0 110.13 176.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.465 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.3 tp60 -69.95 -47.91 22.06 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.526 -172.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 76.4 Cg_exo -52.2 -32.91 52.22 Favored 'Trans proline' 0 C--N 1.362 1.254 0 C-N-CA 122.145 1.897 . . . . 0.0 112.424 176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 120' ' ' ILE . 44.8 t80 -62.03 -50.58 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.547 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.514 HD11 ' CG1' ' A' ' 112' ' ' VAL . 58.0 mt -64.89 -41.38 91.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.594 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -58.92 -47.41 85.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.259 176.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 7.6 tp10 -55.48 -50.51 69.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.188 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 116' ' ' PHE . 36.4 mm -61.48 -47.36 93.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.794 -176.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 28.0 p -59.1 -30.46 68.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.883 0.373 . . . . 0.0 111.522 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -76.98 -47.93 19.4 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.911 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.0 mt -55.79 -52.4 64.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.249 -179.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.7 t -57.89 -45.06 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.004 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 45.9 m -63.38 -31.7 72.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.321 -178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.4 mmt -80.99 -49.78 10.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.054 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -61.44 -33.69 74.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.165 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.79 -52.17 58.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.946 0.403 . . . . 0.0 111.17 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -72.23 -28.21 63.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.444 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -87.23 -5.16 59.06 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.005 0.431 . . . . 0.0 110.828 178.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -84.72 37.45 2.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.107 -0.568 . . . . 0.0 112.562 -177.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 19.7 ptp -76.16 -20.84 57.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.334 0.588 . . . . 0.0 110.028 178.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -170.77 137.47 1.28 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -81.26 70.88 8.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.814 0.816 . . . . 0.0 111.092 -174.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 20.7 m -123.21 -4.08 7.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.41 174.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.8 m -89.17 -15.19 34.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.863 -177.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.793 178.773 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.838 0 N-CA-C 111.938 -0.465 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 m 72.48 -46.28 0.64 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.647 0.779 . . . . 0.0 111.927 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.41 -142.73 3.69 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.548 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -131.1 118.23 20.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.832 0.349 . . . . 0.0 110.199 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.5 m -74.05 -10.04 59.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.504 -176.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.6 t60 -75.31 85.95 2.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -127.37 141.6 51.65 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.642 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.5 153.93 40.24 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 176.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.74 13.58 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.54 2.16 . . . . 0.0 113.399 -174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.507 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 26.8 m95 -108.77 9.91 26.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.796 0.332 . . . . 0.0 110.621 -176.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.5 p -68.16 -33.45 74.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.111 0.481 . . . . 0.0 111.382 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -125.15 135.77 27.28 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.825 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -56.43 -41.31 77.52 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.432 2.088 . . . . 0.0 111.637 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.01 -41.64 97.16 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.16 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 15' ' ' LEU . 29.3 mt -67.06 -38.14 85.27 Favored 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 122.526 -0.396 . . . . 0.0 110.657 177.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -51.36 69.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.119 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HB3' HG11 ' A' ' 49' ' ' VAL . 12.7 pt-20 -65.09 -39.42 93.16 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.59 0.233 . . . . 0.0 110.882 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.508 ' HB3' HG22 ' A' ' 108' ' ' THR . 82.4 m-20 -67.92 -44.71 76.26 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.72 -0.218 . . . . 0.0 110.796 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -55.97 -50.66 70.2 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.117 174.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.5 mmt -59.66 -47.37 85.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.827 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.78 -48.85 79.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.529 0.204 . . . . 0.0 111.171 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.3 m -65.36 -40.09 93.13 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.692 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.49 -52.74 63.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.243 176.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.518 ' SD ' ' HA ' ' A' ' 42' ' ' SER . 43.0 ttp -56.81 -51.77 67.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.499 -178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -68.94 -40.47 78.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.173 -178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.28 -36.33 91.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.892 178.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD12 ' HG3' ' A' ' 30' ' ' MET . 19.3 tp -69.29 -27.03 65.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.071 0.463 . . . . 0.0 110.6 179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -69.13 -19.89 64.03 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.249 176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.4 t -95.06 -5.27 44.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.648 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.444 ' HG3' HD12 ' A' ' 27' ' ' LEU . 20.1 mmt -84.62 143.33 40.91 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -178.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.32 149.75 45.78 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 122.217 1.945 . . . . 0.0 111.278 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 108.31 -28.82 10.97 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.55 177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -100.42 169.56 9.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.016 0.436 . . . . 0.0 111.217 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.496 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -137.37 159.71 41.16 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.089 -175.199 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.06 -43.01 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 45.7 t -59.48 -32.67 70.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.389 -179.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 2.9 mp0 -83.93 -29.37 27.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.298 0.57 . . . . 0.0 110.863 -175.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 34' ' ' THR . 72.2 mt -72.75 -20.09 61.25 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.144 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.92 -48.92 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.428 176.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -66.77 -39.71 87.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.814 178.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -55.24 -39.87 70.25 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.884 176.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.518 ' HA ' ' SD ' ' A' ' 24' ' ' MET . 10.3 t -62.68 -40.23 96.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.324 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.8 m -63.11 -46.01 89.37 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.619 176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.18 -43.96 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.635 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -54.66 -30.39 55.2 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.956 -178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -94.34 -51.66 4.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.783 0.325 . . . . 0.0 111.187 179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.566 ' HA ' HE21 ' A' ' 50' ' ' GLN . 48.3 t -58.88 -48.53 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.119 -0.492 . . . . 0.0 112.244 -174.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.495 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -56.8 -45.9 81.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.0 110.597 -175.08 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.429 HG11 ' HB3' ' A' ' 17' ' ' GLU . 34.2 t -69.29 -23.76 27.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.045 -174.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' A' ' 47' ' ' SER . 37.8 mt-30 -58.65 -31.13 67.87 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -177.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.4 t -63.38 -49.86 72.16 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.8 mt -69.48 -30.11 44.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.767 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -62.88 -46.66 86.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.226 0.536 . . . . 0.0 110.493 176.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 43.2 t -76.63 -41.54 45.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.153 -177.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.61 -41.02 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.114 -175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.55 -4.03 24.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -175.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.85 -7.09 12.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.6 0.238 . . . . 0.0 111.133 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -145.41 -67.41 0.3 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.19 0.519 . . . . 0.0 111.376 -175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -83.37 -154.14 16.44 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.426 -0.806 . . . . 0.0 113.627 -170.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.642 ' HD2' ' N ' ' A' ' 61' ' ' THR . 9.0 tpt180 -137.34 134.33 35.9 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.751 0.31 . . . . 0.0 110.479 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.642 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 0.3 OUTLIER -91.33 -65.76 0.98 Allowed 'General case' 0 N--CA 1.433 -1.29 0 C-N-CA 120.491 -0.484 . . . . 0.0 112.246 174.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.2 m 67.71 163.72 0.13 Allowed Pre-proline 0 CA--C 1.533 0.307 0 O-C-N 123.408 0.442 . . . . 0.0 109.95 -174.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.11 -18.76 18.43 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.439 2.093 . . . . 0.0 112.485 177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -61.84 -53.55 54.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.157 179.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.498 ' HG3' ' HA ' ' A' ' 61' ' ' THR . 27.3 mmmt -64.03 -32.64 74.26 Favored 'General case' 0 C--O 1.227 -0.119 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.145 -177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.507 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -67.31 -21.01 65.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.795 0.331 . . . . 0.0 111.047 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -101.27 5.76 42.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.103 0.478 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -113.61 -41.99 3.53 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.931 175.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.495 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 94.3 mt -65.63 -28.77 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.374 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -65.07 -39.82 93.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.866 -178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 45.9 mtm -83.04 -26.91 30.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.4 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.45 -60.77 3.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.395 -0.82 . . . . 0.0 111.77 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.42 ' O ' ' HG3' ' A' ' 77' ' ' MET . 11.9 p90 -70.38 -25.91 63.46 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.49 -177.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.71 89.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.3 t -67.19 -37.34 83.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.376 177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 m -67.92 -45.63 73.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.42 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 49.1 mtm -68.1 -24.89 65.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.209 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.17 -44.53 92.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.418 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -67.75 -32.63 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.157 0.503 . . . . 0.0 109.921 -178.626 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.512 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 78.8 mt -69.1 -48.22 70.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.487 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.46 94.31 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.435 -179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.31 29.79 1.84 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.376 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.2 t -76.68 -9.86 58.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.134 0.492 . . . . 0.0 110.868 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 63.33 25.92 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.897 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.421 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.4 OUTLIER -84.38 -177.84 6.74 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 175.612 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.421 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . -60.15 151.35 38.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.622 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.61 23.5 5.94 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.134 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 70.84 -160.85 53.97 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.075 -0.583 . . . . 0.0 113.085 176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 72.2 p -96.14 -164.88 1.2 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.581 0.229 . . . . 0.0 110.974 -175.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 93' ' ' LYS . 17.7 mt -62.75 -16.95 60.0 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 122.703 0.401 . . . . 0.0 111.874 178.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 t -54.83 -40.09 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.484 0.49 . . . . 0.0 111.183 -177.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 10.6 m -99.73 -19.75 16.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.087 0.47 . . . . 0.0 110.908 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 89' ' ' SER . 47.6 mmtm -64.02 -49.74 71.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.152 0.501 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.0 p -69.59 -40.93 76.39 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.694 -173.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 m -60.63 -45.02 95.62 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.824 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.3 p -66.57 -41.18 89.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.74 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 75.8 mt -55.61 -53.67 34.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 CA-C-O 120.968 0.414 . . . . 0.0 110.603 174.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.431 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -54.66 -49.29 70.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.421 -178.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -68.32 -40.79 81.52 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.153 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.33 88.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 22.6 mtm -66.05 -43.02 88.72 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.154 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 t -56.18 -46.49 79.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.223 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.575 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 32.2 t30 -68.48 -46.09 70.64 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -59.67 -41.71 91.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.32 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.88 -43.16 94.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.336 0.589 . . . . 0.0 110.32 178.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.94 -36.0 77.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.239 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.575 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 71.6 mm-40 -76.78 -16.72 59.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.606 0.241 . . . . 0.0 111.64 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 18' ' ' ASN . 21.8 p -100.71 -55.27 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -175.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.457 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.1 t -116.46 -17.06 10.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.983 0.421 . . . . 0.0 110.872 -178.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.15 -17.64 58.91 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.433 -0.889 . . . . 0.0 112.91 174.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.457 ' H ' HG23 ' A' ' 109' ' ' THR . 25.0 t -110.61 136.23 47.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.434 ' CG2' HD11 ' A' ' 117' ' ' ILE . 11.6 p -117.33 146.9 21.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.829 0.347 . . . . 0.0 110.259 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.407 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 51.7 t-20 -106.03 104.29 13.96 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.271 -177.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.524 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 26.1 tp60 -66.21 -50.09 51.77 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.227 -176.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.524 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 76.5 Cg_exo -52.01 -41.84 61.86 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.843 1.695 . . . . 0.0 112.256 174.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.473 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.5 t80 -56.38 -49.07 75.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.216 176.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.434 HD11 ' CG2' ' A' ' 112' ' ' VAL . 79.5 mt -64.53 -38.75 83.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.242 -177.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.22 -40.74 86.42 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.171 0.51 . . . . 0.0 110.108 177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.538 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 45.2 tt0 -60.96 -48.21 82.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.438 179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 116' ' ' PHE . 31.2 mm -59.83 -50.68 79.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.014 -177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 4.1 p -59.16 -36.64 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.377 . . . . 0.0 111.241 -177.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -72.67 -39.49 67.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.401 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.2 mt -59.76 -49.49 77.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.364 174.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 120' ' ' ILE . 88.2 t -58.25 -39.57 74.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.845 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.0 m -60.94 -48.85 79.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.877 0.37 . . . . 0.0 110.667 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -45.06 74.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.452 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -70.03 -15.05 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.25 -58.22 3.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 0.0 110.571 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -64.62 -38.77 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.084 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -93.15 22.47 5.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.994 0.425 . . . . 0.0 110.533 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -82.28 51.44 4.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.324 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 60.4 mtm -112.98 55.74 0.69 Allowed 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.038 0.447 . . . . 0.0 110.381 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.403 HD22 ' HA ' ' A' ' 133' ' ' ASN . 3.6 t-20 -73.16 152.93 40.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.847 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -76.57 69.42 2.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.222 0.534 . . . . 0.0 110.431 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.2 p -94.06 -27.14 4.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.565 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t -122.06 21.43 10.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.303 -177.556 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.563 ' HA3' ' OG ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.979 -0.449 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -106.13 15.07 26.86 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 144.03 -49.8 0.69 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.114 -1.041 . . . . 0.0 113.111 177.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.14 -24.52 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 111.36 -176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.563 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 9.1 m -64.98 -19.68 66.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.826 -0.625 . . . . 0.0 112.412 -178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -135.84 104.17 5.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.313 0.577 . . . . 0.0 110.777 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 m -62.31 125.32 23.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.499 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -107.88 162.17 20.76 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.641 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.05 -2.03 12.02 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.462 2.108 . . . . 0.0 113.164 -176.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.493 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 18.4 m95 -98.05 6.09 47.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.351 . . . . 0.0 110.575 -177.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 p -66.83 -27.67 67.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.103 0.478 . . . . 0.0 111.876 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -136.97 130.68 17.65 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_exo -56.08 -40.04 87.44 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.242 . . . . 0.0 112.419 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.6 -42.78 99.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.715 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 15' ' ' LEU . 25.2 mt -66.27 -42.0 89.1 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 110.709 -0.108 . . . . 0.0 110.709 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.6 -47.72 81.38 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.318 0.387 . . . . 0.0 110.714 177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -58.48 -54.06 51.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.639 176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.495 ' HB3' HG22 ' A' ' 108' ' ' THR . 17.9 m-80 -60.75 -44.25 96.95 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.301 -178.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -58.84 -52.68 64.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.625 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.432 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 6.5 mmt -60.36 -48.77 80.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.87 -178.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.33 -45.33 93.69 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.222 -177.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -67.46 -27.92 67.44 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.157 0.503 . . . . 0.0 110.578 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -69.56 -56.12 8.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.615 177.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.664 ' SD ' ' HG2' ' A' ' 25' ' ' GLN . 4.3 ppp? -66.97 -41.14 87.36 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.754 -176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.664 ' HG2' ' SD ' ' A' ' 24' ' ' MET . 14.8 mm100 -71.25 -28.43 64.16 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.053 0.454 . . . . 0.0 111.258 177.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.497 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -80.02 -38.74 18.28 Favored Glycine 0 CA--C 1.501 -0.828 0 N-CA-C 110.442 -1.063 . . . . 0.0 110.442 -177.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.2 mt -63.76 -34.95 79.04 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.787 -0.706 . . . . 0.0 111.31 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.514 ' OG ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 m -68.09 -11.11 58.48 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-O 121.183 0.516 . . . . 0.0 110.843 178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -102.35 -5.31 24.33 Favored 'General case' 0 N--CA 1.44 -0.958 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.571 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.497 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.6 mtt -100.26 145.21 29.86 Favored Pre-proline 0 N--CA 1.45 -0.457 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.506 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.7 153.12 69.59 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.338 2.025 . . . . 0.0 112.062 177.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.06 -28.88 10.37 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.461 177.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -108.5 129.13 55.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.148 0.499 . . . . 0.0 111.194 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.525 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -90.9 158.04 16.99 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.23 178.049 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.51 -38.5 66.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 111.289 -176.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.4 m -63.39 -23.59 67.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.502 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -85.27 -41.4 15.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.903 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -66.45 -28.32 68.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.917 0.389 . . . . 0.0 110.225 176.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -55.5 -43.72 75.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.024 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.33 -38.22 63.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.274 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.9 mtt -59.71 -33.53 71.73 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.894 177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.3 t -59.8 -39.47 85.08 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.013 0.435 . . . . 0.0 110.072 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.7 m -63.66 -45.46 90.01 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.506 176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -60.94 -46.96 95.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.511 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.5 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -51.93 -58.46 6.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.774 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -58.87 -48.17 82.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.485 -0.78 . . . . 0.0 112.025 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.637 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 9.5 t -65.34 -34.96 79.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.769 -176.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 86.7 mmm -65.88 -44.17 86.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.972 0.415 . . . . 0.0 110.207 176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 45' ' ' ALA . 63.5 t -64.75 -42.92 96.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.046 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 47' ' ' SER . 0.0 OUTLIER -62.5 -32.21 73.08 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.663 -175.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.7 m -69.94 -41.77 74.14 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.449 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.0 mt -68.2 -32.07 54.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -63.62 -55.15 25.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 175.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.1 m -58.53 -38.67 78.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.177 0.513 . . . . 0.0 110.834 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt -64.52 -54.01 39.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.724 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.46 -22.39 60.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.765 -175.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.8 -38.52 89.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.113 0.482 . . . . 0.0 109.94 175.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.36 -39.0 40.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.765 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.8 -17.98 27.17 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.964 -0.636 . . . . 0.0 113.008 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.75 114.4 26.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.931 0.396 . . . . 0.0 110.548 -176.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 32.7 m -145.87 114.08 6.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 173.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -81.15 146.07 57.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.366 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -56.32 -25.39 56.51 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.972 2.448 . . . . 0.0 112.865 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.3 -30.33 69.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.719 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 22.0 mmmt -62.46 -39.23 92.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.16 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.32 -25.69 67.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.248 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -104.09 3.51 33.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.896 -175.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.58 -36.63 7.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.381 0.61 . . . . 0.0 109.483 173.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 96.4 mt -61.3 -29.21 69.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.617 178.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -70.55 -26.4 63.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 38.0 mtm -86.08 -29.64 23.22 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.43 -54.55 42.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.749 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 77' ' ' MET . 7.9 p90 -71.68 -27.51 63.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.372 -178.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.1 -41.88 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.3 t -63.54 -39.94 95.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.761 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 m -71.11 -36.94 72.35 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.124 -178.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.524 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 45.4 mtm -74.26 -22.92 59.1 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.876 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.53 77.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -61.93 -33.72 74.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.28 0.562 . . . . 0.0 110.691 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -75.44 -45.76 39.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.874 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.59 -28.69 67.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.325 -178.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -84.28 15.37 3.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.999 0.428 . . . . 0.0 111.301 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.6 t -78.36 136.67 37.73 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.42 0.629 . . . . 0.0 109.946 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -71.88 0.48 9.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.958 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -97.9 146.46 25.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 175.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.05 67.76 1.49 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.434 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 77.82 2.95 83.17 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.854 176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 68.72 -87.03 0.21 Allowed Glycine 0 CA--C 1.519 0.312 0 C-N-CA 121.59 -0.338 . . . . 0.0 113.289 177.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.9 m -63.34 168.19 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.851 0.834 . . . . 0.0 112.65 -172.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.11 -9.56 58.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.5 m -54.33 -46.33 72.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.016 0.436 . . . . 0.0 111.473 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 m -84.15 -14.17 50.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.396 0.617 . . . . 0.0 110.668 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -79.52 -61.05 2.12 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.281 -177.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.0 p -63.11 -37.29 86.64 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.917 -172.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -57.86 -42.12 83.83 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.451 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 27.1 m -73.5 -41.64 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.78 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 73.0 mt -55.68 -50.51 66.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-O 121.095 0.474 . . . . 0.0 110.884 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.45 -41.98 90.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.462 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.4 m -75.26 -36.88 61.18 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.229 -173.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.04 88.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.138 178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 32.1 mtm -66.28 -40.08 89.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.476 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.505 ' O ' ' HG ' ' A' ' 106' ' ' LEU . 26.2 t -58.82 -51.5 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.9 178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -61.42 -38.74 88.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.987 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.84 95.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.399 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 112' ' ' VAL . 10.2 m-85 -62.48 -43.94 97.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.184 0.516 . . . . 0.0 111.498 177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 102' ' ' SER . 81.0 mt -66.5 -26.97 67.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.374 -176.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -88.34 -20.36 25.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.639 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.495 HG22 ' HB3' ' A' ' 18' ' ' ASN . 12.0 p -90.86 -66.22 0.95 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -176.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.8 t -117.13 -2.98 11.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.243 0.544 . . . . 0.0 110.257 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 90.44 -22.07 28.99 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.831 -0.699 . . . . 0.0 113.18 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 32.7 t -108.07 136.58 43.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 117' ' ' ILE . 14.2 p -108.61 150.97 10.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.353 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -104.25 95.58 6.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.851 0.357 . . . . 0.0 110.072 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.533 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.5 tp60 -61.4 -50.2 84.17 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.036 -176.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.533 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 8.0 Cg_endo -52.39 -39.58 73.11 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.34 2.027 . . . . 0.0 112.55 177.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 120' ' ' ILE . 50.3 t80 -58.11 -50.37 73.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.0 0.429 . . . . 0.0 110.672 174.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 112' ' ' VAL . 63.7 mt -64.1 -37.25 79.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.879 -178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.435 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 68.2 m-20 -65.18 -33.07 75.13 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.427 177.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -74.25 -44.04 54.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.5 mm -63.51 -39.6 85.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.555 -175.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 5.9 p -61.63 -22.67 65.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.012 0.434 . . . . 0.0 111.286 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.492 ' O ' ' HG2' ' A' ' 126' ' ' MET . 61.0 mt-30 -81.06 -53.28 6.54 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 84.0 mt -53.03 -51.71 60.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 64.6 t -56.71 -44.51 81.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 0.0 110.691 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 m -69.43 -29.68 67.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.416 -178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 33.2 mmt -75.04 -47.78 27.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.715 0.293 . . . . 0.0 110.96 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -70.62 -29.75 66.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 -178.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -62.13 -43.06 99.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.085 0.469 . . . . 0.0 110.811 178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -81.69 -38.72 25.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.347 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 69.34 -37.08 0.36 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.544 0.738 . . . . 0.0 112.847 177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 127.46 4.65 5.75 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 111.728 -0.549 . . . . 0.0 111.728 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 12.7 ptp -121.82 143.62 49.3 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -144.48 85.06 1.77 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.175 -0.61 . . . . 0.0 112.642 -173.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 59.67 16.17 5.25 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 4.1 m -134.86 108.6 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 174.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.4 m 62.78 27.34 16.02 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.202 -175.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.596 -177.316 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.927 -0.469 . . . . 0.0 111.927 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.4 p -151.54 -179.48 7.44 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.87 86.27 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.335 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -118.03 -36.64 3.56 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.918 0.389 . . . . 0.0 111.058 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -77.28 118.07 19.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.541 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -97.03 41.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.529 0.68 . . . . 0.0 109.902 176.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 m -80.82 155.29 26.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.588 -172.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.25 142.57 94.92 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.84 175.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -59.87 -23.81 73.79 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.789 2.326 . . . . 0.0 113.036 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 17.4 m95 -84.56 4.01 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.503 -173.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.6 t -65.42 -26.9 68.18 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 111.231 -178.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -135.06 134.12 21.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.16 -36.71 93.78 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.484 2.123 . . . . 0.0 111.984 175.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.63 -38.41 93.24 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.231 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -70.57 -41.5 72.32 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.82 92.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.758 177.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -60.68 -49.13 78.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.64 178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.417 ' HB3' HG22 ' A' ' 108' ' ' THR . 9.1 m-80 -63.03 -49.62 73.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.096 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -55.14 -54.98 36.3 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.862 177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.4 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 8.7 mmt -57.11 -44.45 83.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.038 -177.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -66.43 -49.9 65.18 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.916 -0.313 . . . . 0.0 111.047 -178.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.5 m -62.7 -30.41 71.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.236 0.541 . . . . 0.0 110.613 179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -69.22 -55.89 9.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.559 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -63.97 -39.27 93.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.494 -177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -72.68 -19.68 61.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.028 0.442 . . . . 0.0 111.588 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -90.64 -39.87 5.79 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.731 -0.947 . . . . 0.0 110.731 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 27' ' ' LEU . 7.8 mt -65.09 -34.11 77.62 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.892 -0.654 . . . . 0.0 111.93 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -67.12 -8.46 31.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.881 0.372 . . . . 0.0 111.212 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.2 t -107.23 -5.11 18.09 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.691 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.521 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 55.3 mtt -97.22 145.22 29.25 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-O 120.667 0.27 . . . . 0.0 110.993 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -65.43 149.5 87.93 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.062 2.508 . . . . 0.0 112.863 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.62 -28.86 10.1 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.516 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.42 ' CE2' HD22 ' A' ' 27' ' ' LEU . 67.8 m-85 -101.29 136.56 40.93 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.449 0.642 . . . . 0.0 111.641 -176.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' ' OE1' ' A' ' 37' ' ' GLN . 0.7 OUTLIER -102.14 161.18 13.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 174.017 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.55 -30.69 63.39 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 118.152 0.433 . . . . 0.0 112.152 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -59.69 -40.48 88.02 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.897 0.379 . . . . 0.0 110.957 177.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.454 ' OE1' ' HB ' ' A' ' 34' ' ' THR . 15.8 mp0 -65.57 -46.85 77.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.643 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.92 -23.81 64.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.666 -178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -63.23 -46.64 85.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.18 0.514 . . . . 0.0 110.233 175.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD2' HD11 ' A' ' 80' ' ' ILE . 23.2 t70 -72.26 -43.12 64.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.15 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 43.8 mtt -58.16 -36.38 72.93 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 176.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.6 t -64.51 -39.43 93.78 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 40' ' ' ASP . 90.2 m -62.28 -45.34 93.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.385 175.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 48' ' ' MET . 73.5 mt -59.08 -47.42 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.204 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -52.17 -51.61 56.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.713 178.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -60.11 -57.75 11.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.344 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -63.64 -35.19 79.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.691 -173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.425 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -66.15 -48.02 72.16 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.53 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 97.3 t -59.39 -45.53 93.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.538 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -56.56 -37.64 70.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.974 0.416 . . . . 0.0 110.84 177.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -63.45 -41.71 98.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.621 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 68.1 mt -74.81 -30.22 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.368 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.53 ' HG3' ' O ' ' A' ' 49' ' ' VAL . 30.8 mt-30 -60.92 -49.61 76.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.794 0.33 . . . . 0.0 110.316 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -65.31 -37.83 88.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.083 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 tt -60.4 -52.98 62.92 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.1 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.99 -19.88 60.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.76 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.27 -34.06 76.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.392 . . . . 0.0 111.027 178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -82.58 -16.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.504 177.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.82 35.11 78.98 Favored Glycine 0 N--CA 1.452 -0.244 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.499 178.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -134.49 114.85 13.28 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 179.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -141.66 150.11 41.49 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.437 ' OG ' ' HG2' ' A' ' 65' ' ' LYS . 58.4 p -130.02 159.63 69.2 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.69 -31.42 79.72 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.415 2.077 . . . . 0.0 112.188 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.75 -33.68 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.038 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.5 mmmt -63.48 -42.49 98.57 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.963 0.411 . . . . 0.0 110.132 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.1 mm? -66.21 -24.37 66.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.511 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' ' 71' ' ' MET . 29.1 mm-40 -83.27 -35.8 25.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.651 178.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.62 -41.49 72.16 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.05 0.452 . . . . 0.0 110.236 177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 90.4 mt -61.93 -39.41 91.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.222 -177.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 67' ' ' GLN . 5.0 p30 -73.66 -23.61 59.87 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.294 -0.562 . . . . 0.0 111.04 -175.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.484 ' HG3' ' O ' ' A' ' 67' ' ' GLN . 35.9 mtm -84.27 -28.28 27.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.15 0.5 . . . . 0.0 110.001 176.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.4 55.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.715 -177.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.7 p90 -74.16 -21.33 59.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.943 0.401 . . . . 0.0 110.293 -178.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.24 -41.2 63.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.446 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.2 t -64.71 -41.66 95.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -68.43 -43.6 76.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.972 -178.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 44.2 mtm -68.6 -24.42 64.58 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.68 -0.237 . . . . 0.0 111.308 179.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.74 81.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.916 0.389 . . . . 0.0 111.294 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -77.45 -11.42 59.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.494 HD11 ' OD2' ' A' ' 40' ' ' ASP . 62.1 mt -86.94 -39.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.587 0.708 . . . . 0.0 109.401 174.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.548 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -62.49 -28.59 69.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.088 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.33 12.02 9.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.433 179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 80' ' ' ILE . 0.2 OUTLIER -95.63 116.58 29.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 176.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.38 26.76 4.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.543 -173.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.401 ' HB2' HE22 ' A' ' 37' ' ' GLN . 1.1 mp0 -66.84 143.06 57.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.873 174.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 78.39 -63.08 3.7 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.994 -178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 160.39 177.44 33.49 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.297 -0.478 . . . . 0.0 112.05 179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 84.41 146.34 7.62 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.637 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.1 t -84.72 -174.73 5.44 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.1 tt -62.99 -35.12 79.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 110.349 178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -60.82 -32.07 71.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.518 -179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 4.6 m -65.24 -37.3 86.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.319 0.581 . . . . 0.0 110.028 178.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 13.3 mptt -71.39 -52.19 19.99 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.449 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.6 p -60.77 -41.69 95.98 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 -174.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.5 m -62.0 -36.41 81.44 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-O 121.067 0.46 . . . . 0.0 111.254 178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.521 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 40.4 m -71.95 -43.98 64.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.302 178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.7 mt -53.7 -44.88 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 177.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' HB2' HG21 ' A' ' 121' ' ' THR . . . -57.61 -47.36 82.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.373 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.6 m -72.38 -38.87 68.38 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.044 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.36 -45.1 80.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.375 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 36.0 mtm -69.48 -35.76 75.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.723 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.486 ' O ' HG21 ' A' ' 112' ' ' VAL . 22.6 t -60.02 -42.5 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.229 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -77.34 -33.28 55.48 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.356 178.097 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.61 81.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -175.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.28 -3.2 54.78 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.21 0.528 . . . . 0.0 111.069 -174.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.3 mt -84.1 -15.26 47.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.0 110.094 172.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 67.7 mm-40 -92.82 -3.54 54.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.645 179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 18' ' ' ASN . 37.0 p -104.47 -73.27 0.68 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.866 0.365 . . . . 0.0 111.966 -176.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.0 t -109.57 -20.46 12.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.22 0.533 . . . . 0.0 110.128 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 100.15 6.62 53.51 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.461 -0.876 . . . . 0.0 112.669 176.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.43 138.27 40.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 102' ' ' SER . 2.4 t -119.13 153.01 21.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.529 -179.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 59.3 t30 -95.69 107.28 19.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.919 0.39 . . . . 0.0 110.216 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.464 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 25.6 tp60 -64.97 -47.64 73.4 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.464 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 75.8 Cg_exo -51.47 -39.92 63.67 Favored 'Trans proline' 0 C--N 1.36 1.17 0 C-N-CA 122.033 1.822 . . . . 0.0 112.016 175.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' O ' HG12 ' A' ' 120' ' ' ILE . 47.6 t80 -56.37 -53.55 55.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.83 175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.47 HD11 ' CG1' ' A' ' 112' ' ' VAL . 62.6 mt -61.14 -38.84 80.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.878 -177.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -64.52 -52.12 59.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.49 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.445 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 12.2 tp10 -60.54 -36.96 79.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.199 -177.487 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 116' ' ' PHE . 24.5 mm -63.19 -48.34 88.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.128 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.471 HG21 ' HB2' ' A' ' 98' ' ' ALA . 39.9 p -62.13 -29.44 70.34 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.185 0.516 . . . . 0.0 110.468 177.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.44 ' HB3' ' O ' ' A' ' 119' ' ' GLU . 0.6 OUTLIER -65.99 -58.12 6.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.879 175.848 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 96.4 mt -54.82 -51.21 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.254 -0.885 . . . . 0.0 111.817 -178.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 120' ' ' ILE . 93.4 t -55.62 -45.65 79.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.655 0.264 . . . . 0.0 111.306 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 18.3 m -67.07 -34.22 77.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.943 0.401 . . . . 0.0 110.935 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.409 ' HA ' ' CE ' ' A' ' 126' ' ' MET . 0.0 OUTLIER -78.41 -48.39 15.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.683 -177.342 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -62.39 -39.62 93.83 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.327 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -57.71 -41.71 82.27 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -71.73 -17.8 62.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.904 -175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -111.66 1.45 16.76 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.246 0.546 . . . . 0.0 110.477 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -88.67 57.3 4.13 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.902 -176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 61.5 mtm -86.64 41.64 0.96 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 0.0 110.386 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -80.99 79.23 7.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.483 0.659 . . . . 0.0 110.462 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -115.73 81.85 1.66 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.243 177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.4 p -103.16 6.71 10.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 122.067 0.937 . . . . 0.0 109.396 178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 15.2 m -89.76 -1.8 58.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.467 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.651 -0.69 . . . . 0.0 110.243 177.596 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.844 -0.503 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -78.87 105.75 10.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.906 0.384 . . . . 0.0 110.52 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.97 149.04 43.9 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.544 -177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -129.98 14.01 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.744 0.783 . . . . 0.0 109.761 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -149.59 164.34 35.38 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.12 178.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -60.58 118.78 6.96 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.5 m -72.99 125.4 27.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.192 0.52 . . . . 0.0 111.506 -174.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.478 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -116.69 144.82 34.05 Favored Pre-proline 0 C--N 1.318 -0.788 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 174.053 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD2' HG22 ' A' ' 8' ' ' THR . 29.7 Cg_exo -63.26 -4.15 6.09 Favored 'Trans proline' 0 N--CA 1.478 0.613 0 C-N-CA 122.82 2.346 . . . . 0.0 114.189 -173.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.48 ' HB2' HD13 ' A' ' 66' ' ' LEU . 4.6 m95 -97.1 12.67 31.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 110.459 -176.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 p -63.29 -21.15 66.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.003 0.43 . . . . 0.0 111.635 -179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -154.15 129.45 5.09 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -50.4 -38.37 52.89 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 123.157 2.571 . . . . 0.0 112.88 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.1 -41.62 94.94 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.806 -0.711 . . . . 0.0 111.927 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 15' ' ' LEU . 20.5 mt -67.87 -40.32 83.6 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.004 -0.115 . . . . 0.0 110.879 178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.49 90.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.99 0.424 . . . . 0.0 110.759 178.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -66.34 -48.74 69.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.49 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -62.67 -40.92 98.59 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.243 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -57.24 -53.65 55.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.789 176.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 14.2 mmt -59.22 -43.33 92.33 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.529 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 0.6 OUTLIER -62.52 -45.98 90.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.44 179.306 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.1 m -68.61 -32.11 71.75 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.0 110.566 179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -64.63 -55.3 21.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.769 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 22.8 ptm -61.3 -39.6 91.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.486 -176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 14.6 mm100 -70.04 -43.95 70.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.736 -179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -70.15 -34.41 69.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.662 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 36.1 tp -71.95 -34.48 69.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.857 0.36 . . . . 0.0 110.692 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.3 t -68.42 -12.73 61.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.334 0.588 . . . . 0.0 110.2 178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.0 t -96.83 -1.8 45.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.383 178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 42.8 mtt -103.52 154.96 37.48 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 122.267 -0.271 . . . . 0.0 110.89 -179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.25 155.85 33.03 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.6 2.2 . . . . 0.0 112.404 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 111.55 -35.27 4.82 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.697 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -102.56 148.04 26.04 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.225 0.536 . . . . 0.0 111.611 -177.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.74 170.2 9.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.21 176.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.86 -37.12 73.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.86 0.362 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 m -61.0 -25.01 66.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.562 178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -97.06 -41.3 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.32 0.581 . . . . 0.0 110.512 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.437 ' HA ' ' HB2' ' A' ' 41' ' ' MET . 93.6 mt -67.09 -21.3 65.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.011 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -59.51 -37.56 78.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.635 176.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.63 -37.39 25.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.01 178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.437 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 18.4 mmt -54.7 -43.99 73.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 174.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.7 t -62.07 -33.37 74.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.022 0.439 . . . . 0.0 110.302 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.2 m -69.87 -45.55 67.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.386 178.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.9 mt -57.7 -47.82 84.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.029 0.443 . . . . 0.0 110.016 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.37 -37.23 77.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.83 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 43' ' ' THR . 7.4 pt20 -82.73 -37.55 24.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.705 0.288 . . . . 0.0 111.296 -175.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.5 t -85.68 -38.15 18.65 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -171.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.446 ' CE ' ' HB3' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -60.2 -46.93 88.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.75 0.31 . . . . 0.0 110.534 -175.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.2 t -56.56 -33.35 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.353 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.52 -33.36 74.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.835 -174.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 89.0 p -63.83 -40.83 97.53 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.976 0.417 . . . . 0.0 110.093 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.4 mt -75.05 -31.88 25.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.366 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -60.09 -47.83 84.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.9 177.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -74.36 -32.4 62.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.7 -48.34 81.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.357 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.66 -8.22 56.26 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.28 -43.83 5.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.868 0.366 . . . . 0.0 111.231 -179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -90.44 -52.82 4.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.029 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -107.41 -131.47 6.64 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.451 -176.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.51 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.3 tmm_? -150.55 138.49 20.05 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.51 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 9.2 m -86.86 95.23 9.8 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.204 0.526 . . . . 0.0 110.639 178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.3 m -77.57 156.52 80.72 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.256 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.434 ' HA ' HD23 ' A' ' 66' ' ' LEU . 11.9 Cg_endo -55.51 -24.2 43.15 Favored 'Trans proline' 0 C--N 1.35 0.63 0 C-N-CA 123.135 2.557 . . . . 0.0 112.669 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -70.85 -29.49 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.78 179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -66.37 -37.5 85.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.226 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.48 HD13 ' HB2' ' A' ' 10' ' ' TRP . 3.8 mm? -61.61 -33.68 74.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.832 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -95.89 4.09 53.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.015 -175.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.43 -40.25 5.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.156 174.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' HB3' ' CE ' ' A' ' 48' ' ' MET . 96.3 mt -71.18 -26.87 63.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.489 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -69.66 -26.35 64.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.888 -177.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.5 mtm -86.06 -27.45 24.73 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -57.0 14.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.752 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.481 ' O ' ' HG3' ' A' ' 77' ' ' MET . 6.6 p90 -70.24 -29.3 66.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.376 -177.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.91 -41.02 83.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.528 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 t -63.76 -28.76 70.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -80.13 -45.34 18.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.01 0.433 . . . . 0.0 110.211 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' ' 73' ' ' PHE . 46.1 mtm -67.41 -25.32 65.87 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.098 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.455 ' HA ' HG13 ' A' ' 124' ' ' VAL . . . -54.41 -45.55 72.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.524 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -69.87 -34.28 73.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 53.9 mt -71.13 -40.15 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.486 0.66 . . . . 0.0 110.097 176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.97 -38.81 92.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.523 178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -83.47 4.31 28.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 0.0 111.461 -179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 t -83.49 102.7 12.29 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 177.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -77.91 99.67 6.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 122.072 0.939 . . . . 0.0 110.394 179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 86' ' ' GLY . 0.6 OUTLIER -118.11 -173.36 2.44 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 114.583 -1.19 . . . . 0.0 108.419 -179.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' H ' ' CD ' ' A' ' 85' ' ' GLU . . . -70.47 71.78 0.64 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.271 177.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.67 -38.63 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 121.298 -0.477 . . . . 0.0 111.995 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.53 175.75 21.36 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.338 -0.934 . . . . 0.0 112.964 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.619 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 13.2 p -82.11 -179.01 7.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.714 0.406 . . . . 0.0 110.764 -179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.431 ' CD2' HG23 ' A' ' 94' ' ' THR . 0.6 OUTLIER -59.69 -25.08 64.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 122.769 0.427 . . . . 0.0 111.291 -174.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.7 m -53.12 -52.01 60.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.855 -177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.8 m -73.47 -32.49 64.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.896 0.379 . . . . 0.0 110.699 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 89' ' ' SER . 9.9 mmmm -59.58 -50.01 75.55 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.533 -173.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.431 HG23 ' CD2' ' A' ' 90' ' ' LEU . 21.9 p -66.57 -37.4 84.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.919 0.39 . . . . 0.0 110.856 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.4 m -61.58 -45.49 93.9 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.631 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 p -65.72 -39.95 91.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 110.942 178.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.455 ' O ' ' HG3' ' A' ' 101' ' ' MET . 82.0 mt -60.18 -45.69 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.999 0.428 . . . . 0.0 110.441 178.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.414 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -58.14 -50.36 73.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.478 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 m -68.28 -38.04 81.29 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.217 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.9 -45.49 92.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.088 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.455 ' HG3' ' O ' ' A' ' 97' ' ' ILE . 32.2 mtm -65.51 -42.94 91.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.808 0.337 . . . . 0.0 110.46 178.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.3 t -57.8 -54.21 49.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.09 177.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.585 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 5.6 t30 -60.53 -37.12 80.13 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.188 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.91 -51.68 68.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.779 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.472 ' HA ' ' OG1' ' A' ' 108' ' ' THR . 0.1 OUTLIER -74.74 -21.84 59.13 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.88 0.371 . . . . 0.0 111.032 -174.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.3 mt -69.82 -27.86 65.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.364 174.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 83.9 mm-40 -84.73 -23.59 29.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.018 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.472 ' OG1' ' HA ' ' A' ' 105' ' ' PHE . 37.2 p -89.95 -59.17 2.27 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -175.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 111' ' ' VAL . 6.4 t -115.19 -23.99 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.092 0.472 . . . . 0.0 110.916 -177.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.64 -19.91 40.65 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.38 -0.914 . . . . 0.0 113.042 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.405 ' H ' HG23 ' A' ' 109' ' ' THR . 33.6 t -126.68 136.14 61.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.527 HG11 HD11 ' A' ' 117' ' ' ILE . 1.4 t -106.7 -143.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.529 ' OD1' ' HD2' ' A' ' 115' ' ' PRO . 36.8 t30 -158.99 105.24 1.75 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.798 -0.816 . . . . 0.0 108.798 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 20.8 tp60 -64.44 -49.16 73.02 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.978 -171.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.529 ' HD2' ' OD1' ' A' ' 113' ' ' ASN . 43.3 Cg_exo -58.51 -21.48 54.6 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.841 1.694 . . . . 0.0 112.633 178.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.421 ' HB2' ' ND2' ' A' ' 113' ' ' ASN . 35.7 t80 -74.38 -52.43 12.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.087 0.47 . . . . 0.0 110.416 175.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.527 HD11 HG11 ' A' ' 112' ' ' VAL . 63.0 mt -61.45 -39.67 83.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.341 -178.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -72.89 -18.54 61.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.776 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 115' ' ' PRO . 33.1 tt0 -83.14 -42.01 17.84 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 124' ' ' VAL . 30.7 mm -65.27 -44.45 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.003 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.414 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 13.2 p -57.59 -34.54 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.127 0.489 . . . . 0.0 110.789 179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 126' ' ' MET . 48.8 mt-30 -71.81 -45.53 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.419 178.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 99.3 mt -57.66 -49.89 75.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.675 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.455 HG13 ' HA ' ' A' ' 78' ' ' ALA . 96.2 t -57.44 -50.67 76.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.037 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 17.8 m -64.98 -32.0 73.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.131 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -73.95 -55.64 5.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.692 -177.406 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -62.65 -33.76 75.71 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.243 -176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -63.44 -52.08 62.99 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.026 0.441 . . . . 0.0 111.397 -179.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -77.93 -23.87 48.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.556 -175.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.6 16.46 20.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -77.27 52.16 3.35 Favored Glycine 0 C--N 1.33 0.224 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.59 -178.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 23.3 ptp -117.95 -6.55 10.97 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.355 0.598 . . . . 0.0 109.515 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -170.92 146.83 2.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.98 -1.009 . . . . 0.0 108.817 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -79.6 70.29 6.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.33 0.586 . . . . 0.0 109.791 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 44.3 t -83.8 106.55 14.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.438 -177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 42.3 m 57.74 77.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.45 175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.982 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.099 177.63 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m -64.26 117.19 6.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.726 0.298 . . . . 0.0 110.777 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -172.84 170.9 44.01 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.047 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -128.99 15.86 6.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.231 0.538 . . . . 0.0 109.81 178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t -62.44 140.75 58.58 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.795 -178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -92.52 105.49 17.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.728 179.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.4 m -65.18 131.53 46.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.183 -0.917 . . . . 0.0 112.752 -173.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -90.36 136.98 27.82 Favored Pre-proline 0 N--CA 1.448 -0.532 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.156 168.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -64.32 -15.21 48.4 Favored 'Trans proline' 0 CA--C 1.53 0.278 0 C-N-CA 122.54 2.16 . . . . 0.0 112.962 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.407 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.9 m95 -98.82 5.62 47.33 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.123 -175.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 t -74.17 -16.3 60.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.054 0.454 . . . . 0.0 110.77 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -146.12 124.47 6.36 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.84 -40.34 85.65 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 123.044 2.496 . . . . 0.0 112.751 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.25 -36.31 89.52 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.854 -0.689 . . . . 0.0 111.682 178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tt -66.97 -48.96 66.9 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 177.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -54.86 -47.43 74.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.16 179.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -59.41 -46.39 88.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.439 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.426 ' HB3' HG22 ' A' ' 108' ' ' THR . 10.0 m-80 -64.32 -41.46 96.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.048 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -63.1 -55.41 25.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.502 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.7 mtp -68.87 -31.9 71.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.488 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -69.16 -44.47 72.2 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.205 177.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.0 m -66.84 -37.2 84.01 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.102 0.477 . . . . 0.0 110.206 177.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -57.25 -50.35 73.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.235 173.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 18.6 ttm -56.4 -55.22 36.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.838 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 13.8 mm-40 -65.03 -40.71 95.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.547 -175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.91 -37.62 83.85 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.157 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 tp -66.65 -33.89 76.66 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.96 0.409 . . . . 0.0 110.794 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.9 t -66.01 -18.71 65.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.73 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.6 t -95.12 -1.23 52.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.327 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 52.2 mtt -100.3 153.06 37.96 Favored Pre-proline 0 N--CA 1.451 -0.401 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.601 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.26 159.03 50.63 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.622 2.215 . . . . 0.0 112.382 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.518 ' HA2' ' O ' ' A' ' 87' ' ' GLY . . . 106.74 -35.48 5.01 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.816 176.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -103.49 146.36 28.64 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.412 0.625 . . . . 0.0 111.906 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.532 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 1.9 m -111.16 162.73 14.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.179 177.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.47 -37.23 56.6 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB2' ' OE2' ' A' ' 85' ' ' GLU . 15.3 m -58.39 -45.75 87.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.159 0.504 . . . . 0.0 110.496 177.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.57 ' NE2' ' HG3' ' A' ' 85' ' ' GLU . 41.8 mt-30 -65.66 -45.83 81.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.422 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 34' ' ' THR . 0.9 OUTLIER -64.43 -28.76 69.89 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.998 179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -63.93 -46.17 85.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.992 0.425 . . . . 0.0 110.665 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -75.01 -33.54 61.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.115 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.89 -38.74 70.6 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.24 0.543 . . . . 0.0 110.207 170.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -64.54 -36.52 84.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.138 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.699 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 95.7 m -66.58 -45.23 79.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.676 176.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 75.0 mt -58.48 -40.49 78.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.109 0.48 . . . . 0.0 110.155 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.3 -12.17 61.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.262 -177.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.1 pt20 -100.57 -45.93 5.36 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.512 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.3 m -70.62 -40.55 73.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -176.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HE1' ' HB3' ' A' ' 69' ' ' LEU . 0.0 OUTLIER -63.07 -49.02 76.15 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.012 0.435 . . . . 0.0 109.966 -176.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.7 t -55.97 -47.75 79.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.68 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 98.3 mt-30 -57.56 -33.18 67.86 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.291 -178.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.6 t -63.99 -45.26 89.84 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.022 178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.5 mt -74.06 -29.76 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 110.543 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -59.94 -37.11 78.56 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-O 121.17 0.51 . . . . 0.0 110.363 175.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 47.0 m -83.17 -35.47 25.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.46 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tt -56.41 -59.09 5.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.913 -178.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.58 -11.1 60.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -174.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.38 -36.61 16.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.258 0.551 . . . . 0.0 110.562 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -87.3 -39.14 15.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.645 -179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.76 -142.95 4.23 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.591 ' HD2' ' N ' ' A' ' 61' ' ' THR . 2.5 tmm_? -128.67 146.32 50.91 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.591 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 2.9 m -80.15 87.32 5.5 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 121.212 0.529 . . . . 0.0 110.515 177.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.43 ' HB3' ' HD2' ' A' ' 63' ' ' PRO . 17.9 m -71.76 160.54 82.33 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.575 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.43 ' HD2' ' HB3' ' A' ' 62' ' ' SER . 5.2 Cg_endo -47.48 -38.15 27.12 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 123.522 2.815 . . . . 0.0 113.542 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -60.94 -34.04 74.1 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.816 0.341 . . . . 0.0 111.137 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.409 ' O ' ' HG ' ' A' ' 69' ' ' LEU . 28.7 mmmt -66.24 -45.02 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.076 -178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.407 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.7 mm? -57.83 -37.76 74.42 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.967 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -76.56 -36.82 57.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.721 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.47 -41.34 66.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.095 0.474 . . . . 0.0 110.505 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 65' ' ' LYS . 95.0 mt -69.45 -32.88 72.08 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.845 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -70.56 -25.51 63.12 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.053 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 47.7 mtm -86.14 -35.69 20.01 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.96 -56.97 15.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.712 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -69.88 -29.75 67.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.411 -176.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.29 -41.31 89.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -67.07 -33.79 76.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.888 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.0 m -68.4 -46.36 70.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.809 0.338 . . . . 0.0 110.385 177.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 41.6 mtm -69.43 -24.98 63.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.807 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.96 83.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.976 -178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -29.88 66.98 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 -177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.91 -38.66 36.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.432 0.634 . . . . 0.0 110.338 177.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -67.49 -22.23 65.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.486 177.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.9 13.59 20.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.01 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.419 ' OG ' ' HG2' ' A' ' 85' ' ' GLU . 10.0 t -80.0 131.52 35.82 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 178.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -92.01 12.42 21.92 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.087 -174.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.57 ' HG3' ' NE2' ' A' ' 37' ' ' GLN . 5.9 pt-20 -90.75 145.9 24.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 92.66 -158.56 24.34 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.396 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.518 ' O ' ' HA2' ' A' ' 32' ' ' GLY . . . -107.48 163.48 13.11 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.991 -176.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.85 -177.71 52.88 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.23 -0.509 . . . . 0.0 112.863 176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.5 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 28.0 t -115.2 -166.82 1.15 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.46 -33.28 75.22 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 178.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 t -59.52 -40.81 88.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.318 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 7.0 m -65.59 -39.12 91.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.088 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 44.4 mmtm -60.77 -53.23 59.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.625 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 30.0 p -65.45 -37.35 86.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.977 -175.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.0 m -60.11 -42.72 95.35 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-O 120.957 0.408 . . . . 0.0 111.303 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.4 m -68.9 -44.76 72.55 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 80.2 mt -55.16 -47.08 77.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.998 0.428 . . . . 0.0 111.05 178.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -59.73 -40.72 88.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.462 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 43.8 m -76.97 -38.9 52.35 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.08 -42.22 89.89 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.612 ' HE3' HG12 ' A' ' 117' ' ' ILE . 33.1 mtm -66.88 -39.3 87.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.13 177.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.404 ' O ' HG22 ' A' ' 112' ' ' VAL . 14.7 t -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.245 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.526 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 23.6 t30 -66.59 -39.49 88.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.547 177.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.88 -36.48 81.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.512 -179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.502 ' HB3' ' O ' ' A' ' 111' ' ' VAL . 25.3 m-85 -64.15 -38.46 91.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.695 0.283 . . . . 0.0 111.307 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.45 -29.28 69.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.123 0.487 . . . . 0.0 110.628 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 69.8 mm-40 -83.99 -21.36 31.74 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.16 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.426 HG22 ' HB3' ' A' ' 18' ' ' ASN . 10.0 p -100.05 -61.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.597 0.591 . . . . 0.0 112.597 -174.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.3 t -114.37 -9.26 12.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.981 0.419 . . . . 0.0 110.631 -175.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.41 -2.39 84.89 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.024 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.502 ' O ' ' HB3' ' A' ' 105' ' ' PHE . 7.6 p -136.89 137.48 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 102' ' ' SER . 58.9 t -87.64 125.42 41.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.445 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.458 ' O ' HG13 ' A' ' 117' ' ' ILE . 56.9 t30 -90.71 91.36 8.36 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.477 0.656 . . . . 0.0 109.997 179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.49 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 0.0 OUTLIER -60.89 -53.09 67.42 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 114.737 -1.12 . . . . 0.0 112.922 -170.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.85 -33.97 73.64 Favored 'Trans proline' 0 C--N 1.358 1.034 0 C-N-CA 122.323 2.015 . . . . 0.0 112.426 -179.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.543 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.0 t80 -64.38 -48.07 76.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.472 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.612 HG12 ' HE3' ' A' ' 101' ' ' MET . 49.7 mt -69.52 -31.21 48.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.229 -175.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -69.36 -36.11 76.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.325 175.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 9.0 tp10 -72.13 -47.47 50.85 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.192 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.543 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -58.23 -43.43 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.567 -177.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.438 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 1.4 p -62.08 -26.16 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 111.621 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -84.93 -37.65 20.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.011 0.434 . . . . 0.0 110.041 177.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 88.6 mt -62.19 -51.19 68.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.379 177.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 120' ' ' ILE . 91.0 t -56.79 -42.89 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.439 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.2 p -67.9 -42.64 80.86 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.043 -178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 30.2 mmt -67.74 -44.99 76.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.655 0.264 . . . . 0.0 111.36 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -69.91 -15.98 63.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.202 -179.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.95 -39.82 72.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.751 0.31 . . . . 0.0 110.877 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -85.01 -37.66 20.13 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.59 -16.73 31.77 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -173.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -81.16 56.23 4.84 Favored Glycine 0 C--O 1.229 -0.186 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.832 -178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.8 ptp -93.51 -13.3 27.98 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -175.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -143.13 88.39 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.415 -0.514 . . . . 0.0 112.325 -175.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -179.28 107.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.475 171.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 47.8 t -103.92 -56.52 5.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.161 0.505 . . . . 0.0 110.556 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.1 t -156.95 83.51 0.94 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.375 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.057 -176.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.979 0 N-CA-C 112.211 -0.356 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -59.24 -38.23 79.52 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.277 0.56 . . . . 0.0 110.685 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.78 171.58 39.04 Favored Glycine 0 N--CA 1.444 -0.775 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 -72.8 -44.63 61.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.044 0.449 . . . . 0.0 110.149 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -94.11 88.24 5.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.088 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -131.63 122.01 25.29 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -148.04 -165.4 2.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.739 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.99 142.83 25.37 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.64 -16.85 51.0 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.574 2.182 . . . . 0.0 113.13 -176.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -90.17 5.35 47.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.074 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 t -77.23 -14.88 59.68 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.147 0.498 . . . . 0.0 110.878 -178.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -152.19 128.13 5.11 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -50.44 -38.61 53.87 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 123.306 2.671 . . . . 0.0 112.122 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 18' ' ' ASN . . . -62.79 -36.27 93.1 Favored Glycine 0 N--CA 1.448 -0.545 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.097 178.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.1 mt -76.08 -38.87 56.48 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 120.42 0.152 . . . . 0.0 110.826 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.13 38.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.303 -179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -65.42 -38.46 89.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 110.704 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.588 ' HB3' HG22 ' A' ' 108' ' ' THR . 1.5 m-80 -66.74 -49.67 65.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.138 -178.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.49 -51.26 70.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.235 -179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmt -59.43 -43.94 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 28.7 m-80 -65.94 -45.36 82.13 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.151 -179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -62.95 -42.85 99.94 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.986 0.422 . . . . 0.0 110.432 178.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -56.69 -53.69 54.76 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.364 175.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 14.8 ttm -53.3 -50.53 64.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.655 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 30.4 mm-40 -61.64 -48.35 81.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -177.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -68.7 -40.05 85.78 Favored Glycine 0 CA--C 1.517 0.218 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.235 -179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.2 tm? -65.4 -35.78 81.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.009 0.433 . . . . 0.0 109.872 -178.505 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.2 t -63.6 -19.98 65.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.794 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.3 m -91.73 -7.49 49.61 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-O 121.011 0.434 . . . . 0.0 110.815 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.464 ' SD ' ' HB3' ' A' ' 96' ' ' SER . 59.2 mtt -96.19 145.75 30.11 Favored Pre-proline 0 N--CA 1.45 -0.439 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -176.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -82.54 -179.81 4.85 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 123.012 2.474 . . . . 0.0 113.655 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.413 ' O ' ' HA3' ' A' ' 87' ' ' GLY . . . 95.89 -19.0 56.38 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.864 176.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -101.83 173.64 6.31 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.172 0.511 . . . . 0.0 111.107 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.555 ' HB ' ' OG ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -110.04 157.19 19.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 174.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.82 -29.59 62.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.35 0.595 . . . . 0.0 110.182 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.555 ' OG ' ' HB ' ' A' ' 34' ' ' THR . 1.8 p -64.04 -38.56 91.5 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.673 177.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.548 ' HG2' ' H ' ' A' ' 34' ' ' THR . 45.1 mm-40 -65.75 -44.11 86.9 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.296 0.569 . . . . 0.0 111.057 -174.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.5 mt -68.17 -22.01 64.86 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.331 -0.849 . . . . 0.0 110.769 -174.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.47 -44.97 77.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.456 177.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' OD2' HD11 ' A' ' 80' ' ' ILE . 19.2 t70 -71.78 -38.88 70.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.532 179.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.7 mtt -58.47 -29.71 66.41 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.602 176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.1 m -62.74 -39.03 92.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.049 0.452 . . . . 0.0 110.045 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.3 m -67.59 -40.99 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.735 177.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.4 mt -61.52 -44.65 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.708 178.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.13 -13.52 48.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.542 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -100.53 -55.26 2.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.961 0.41 . . . . 0.0 110.788 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.591 ' O ' ' HG3' ' A' ' 50' ' ' GLN . 8.6 t -69.25 -37.65 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.824 -172.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.2 tpt -64.5 -42.14 96.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.325 0.583 . . . . 0.0 109.836 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.555 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 89.5 t -68.55 -46.94 79.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.366 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 47' ' ' SER . 4.8 pp0? -58.43 -33.25 69.49 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.099 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.5 m -61.36 -44.06 97.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.984 176.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 67.9 mt -72.64 -36.05 52.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.604 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.555 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 11.5 mm100 -57.59 -43.48 84.67 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.159 0.504 . . . . 0.0 110.283 178.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 m -77.08 -36.16 56.0 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.797 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 55.6 tp -63.25 -53.72 48.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.109 -178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.64 -22.98 63.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.6 -177.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.44 85.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.978 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -83.45 -8.2 59.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.7 -178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.65 33.06 48.46 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.602 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HD3' ' N ' ' A' ' 61' ' ' THR . 1.9 tmt_? -139.32 128.8 24.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.434 ' N ' ' HD3' ' A' ' 60' ' ' ARG . 25.6 m -149.0 -72.17 0.19 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.485 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.1 m 72.61 152.95 0.15 Allowed Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 123.132 0.573 . . . . 0.0 110.97 -176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -57.04 -21.88 44.24 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.151 2.567 . . . . 0.0 113.708 -175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -57.18 -38.95 74.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.052 0.453 . . . . 0.0 110.814 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -70.62 -34.66 72.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.689 -176.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.57 -35.45 80.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.999 0.428 . . . . 0.0 110.247 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -78.34 -37.26 44.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.56 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.67 -47.71 65.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.964 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.6 -27.84 68.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.828 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -62.69 -33.7 75.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.13 -179.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.9 mtm -99.22 -7.99 25.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.096 0.474 . . . . 0.0 110.706 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.45 -61.74 1.81 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.506 -174.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -66.31 -25.54 66.89 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 0.0 110.732 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.05 -30.75 70.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.777 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.2 t -74.7 -42.09 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.092 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -63.22 -43.45 98.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.417 0.627 . . . . 0.0 110.415 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.3 mtp -70.57 -30.21 66.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.404 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.91 -49.4 63.14 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.464 0.477 . . . . 0.0 111.824 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -65.78 -30.68 71.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.214 -179.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.498 HD11 ' OD2' ' A' ' 40' ' ' ASP . 68.8 mt -71.81 -44.28 68.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.42 0.628 . . . . 0.0 110.379 178.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.628 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -68.79 -26.97 65.47 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.163 179.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -103.22 19.25 19.96 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.957 0.408 . . . . 0.0 111.023 178.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.1 m -72.12 116.83 13.0 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 121.244 0.545 . . . . 0.0 111.246 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -79.34 20.93 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.901 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -54.54 12.83 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -166.91 141.93 7.25 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.689 179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 32' ' ' GLY . . . 100.82 6.17 52.71 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.387 179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 63.85 -138.74 42.32 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.442 -0.408 . . . . 0.0 113.767 176.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.2 p -78.55 -162.29 0.35 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 123.082 0.553 . . . . 0.0 112.106 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.47 ' HB3' HG23 ' A' ' 94' ' ' THR . 1.0 OUTLIER -85.02 -0.53 54.73 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.523 -174.776 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.0 t -50.6 -65.96 0.47 Allowed 'General case' 0 CA--C 1.535 0.403 0 O-C-N 123.482 0.489 . . . . 0.0 111.657 -174.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.9 m -73.43 -25.52 60.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.053 0.454 . . . . 0.0 110.722 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 30.5 mmtm -63.48 -64.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.289 -176.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 90' ' ' LEU . 31.3 p -63.5 -34.25 77.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.325 -171.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.0 m -63.74 -34.28 77.54 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 121.177 0.513 . . . . 0.0 111.33 179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.464 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 39.1 m -78.11 -47.27 18.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 177.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 82.1 mt -48.73 -46.26 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.04 -54.39 45.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.447 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.3 m -66.39 -36.41 82.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.939 -173.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.33 -39.33 79.16 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.088 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.415 ' HE3' HG12 ' A' ' 117' ' ' ILE . 34.4 mtm -71.3 -38.9 71.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.332 178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 16.9 m -56.0 -49.73 72.84 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.907 177.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.9 t30 -67.82 -37.89 82.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.487 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.33 97.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.509 -179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.23 -29.29 68.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.655 0.264 . . . . 0.0 111.175 -178.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 80.5 mt -67.99 -34.93 77.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.952 0.406 . . . . 0.0 110.641 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -89.17 4.63 47.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.797 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 18' ' ' ASN . 23.0 p -121.29 -59.36 1.72 Allowed 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.808 -177.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.8 t -109.18 -30.11 8.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.022 0.439 . . . . 0.0 110.082 -178.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 106.96 -19.46 35.27 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.719 175.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.6 t -123.54 129.32 74.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.461 ' CG1' HD11 ' A' ' 117' ' ' ILE . 10.6 t -91.17 146.63 5.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.616 -177.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.404 ' O ' ' HB3' ' A' ' 116' ' ' PHE . 64.1 t30 -104.06 98.51 8.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.547 ' N ' ' HD2' ' A' ' 115' ' ' PRO . 25.2 tp60 -64.74 -48.02 74.05 Favored Pre-proline 0 CA--C 1.54 0.595 0 N-CA-C 112.659 0.614 . . . . 0.0 112.659 -172.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 114' ' ' GLN . 10.2 Cg_endo -53.81 -36.99 84.46 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.408 2.072 . . . . 0.0 112.391 177.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.515 ' O ' HG12 ' A' ' 120' ' ' ILE . 53.2 t80 -57.87 -53.66 55.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.423 175.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.461 HD11 ' CG1' ' A' ' 112' ' ' VAL . 59.0 mt -63.92 -38.97 83.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.16 -177.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' A' ' 122' ' ' GLN . 96.5 m-20 -69.17 -26.03 64.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.245 179.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -83.69 -39.57 20.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.783 0.325 . . . . 0.0 110.564 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 116' ' ' PHE . 34.8 mm -60.99 -43.1 95.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.923 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -59.98 -28.3 67.56 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.962 0.411 . . . . 0.0 111.06 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 118' ' ' ASN . 52.0 mt-30 -72.21 -56.56 5.34 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 175.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 89.7 mt -54.75 -50.1 69.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.866 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 94.0 t -57.73 -37.28 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.527 ' HB2' ' HE3' ' A' ' 126' ' ' MET . 16.4 m -78.5 -37.23 43.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.921 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.527 ' HE3' ' HB2' ' A' ' 125' ' ' SER . 0.0 OUTLIER -71.98 -39.31 69.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.786 -177.703 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -74.6 -23.16 58.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.64 0.257 . . . . 0.0 111.056 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -61.24 -56.41 20.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.44 -177.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.51 -26.72 66.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.268 0.556 . . . . 0.0 110.658 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -88.47 14.25 10.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.289 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -79.48 54.62 4.36 Favored Glycine 0 N--CA 1.452 -0.282 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.368 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 21.2 ptp -108.85 11.46 26.13 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.269 0.557 . . . . 0.0 110.389 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -157.26 130.76 7.96 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.386 -178.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -87.06 10.94 15.0 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -173.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.6 t -76.21 117.68 21.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 50.0 m 71.99 26.64 2.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.91 -179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.639 174.22 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.835 0 N-CA-C 111.857 -0.497 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -82.6 114.89 21.3 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.974 0.416 . . . . 0.0 111.17 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.78 54.04 0.62 Allowed Glycine 0 N--CA 1.45 -0.407 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 175.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -80.47 43.23 0.64 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.833 0.453 . . . . 0.0 112.176 -170.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -151.05 -74.29 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.117 0.484 . . . . 0.0 110.659 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -153.33 117.14 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.13 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.2 m -68.72 103.57 1.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.536 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -81.82 150.25 65.38 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.223 175.451 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 8' ' ' THR . 24.1 Cg_exo -64.11 -9.19 18.56 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.739 2.292 . . . . 0.0 112.89 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.565 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 8.2 m95 -87.88 -0.92 57.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.919 0.39 . . . . 0.0 110.668 -176.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -65.69 -31.38 72.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.492 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -131.8 123.33 19.1 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.648 -178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.68 -38.11 65.55 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.255 2.636 . . . . 0.0 112.919 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.28 -36.04 60.02 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.744 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.9 tp -68.72 -40.54 79.86 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.3 94.33 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.226 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.84 -54.17 45.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.98 0.419 . . . . 0.0 110.507 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.498 ' HB3' HG22 ' A' ' 108' ' ' THR . 8.7 m-20 -60.17 -34.1 73.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.666 -179.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -67.04 -50.94 60.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.209 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 11.0 mmt -59.93 -43.8 94.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.69 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.36 -55.43 33.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.864 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -61.49 -29.93 70.29 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-O 121.038 0.447 . . . . 0.0 111.076 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -65.08 -58.4 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.801 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -66.47 -33.81 76.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.672 -175.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.15 -46.35 81.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.941 0.4 . . . . 0.0 110.583 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.461 ' O ' ' HG3' ' A' ' 30' ' ' MET . . . -71.0 -41.17 61.59 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.18 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 tp -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.785 0.326 . . . . 0.0 111.023 -176.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.44 ' HA ' HD13 ' A' ' 38' ' ' LEU . 48.3 t -64.07 -16.16 61.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.856 178.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.5 m -103.87 1.62 31.65 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.428 -179.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.461 ' HG3' ' O ' ' A' ' 26' ' ' GLY . 54.2 mtt -99.19 147.82 33.79 Favored Pre-proline 0 C--N 1.332 -0.172 0 CA-C-O 120.556 0.217 . . . . 0.0 110.865 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.9 152.7 47.02 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.463 2.108 . . . . 0.0 112.469 176.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.55 -30.61 4.87 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -104.61 -178.08 3.55 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.314 0.578 . . . . 0.0 111.434 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.24 156.01 48.09 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.98 -39.37 65.94 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -173.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.2 m -59.11 -45.45 90.84 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.801 0.334 . . . . 0.0 111.432 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.492 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 1.1 mp0 -73.06 -35.24 66.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 111.383 -177.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 28' ' ' SER . 88.3 mt -67.6 -29.29 68.59 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -62.65 -41.33 98.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.199 177.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' OD2' HD11 ' A' ' 80' ' ' ILE . 18.9 t70 -68.63 -43.09 77.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.239 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 41.4 mtt -59.7 -35.4 74.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.249 174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.6 t -62.11 -28.02 69.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.221 0.534 . . . . 0.0 109.973 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.702 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 86.3 m -81.27 -41.14 22.64 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.645 176.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.9 mt -58.9 -34.28 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.315 0.579 . . . . 0.0 109.815 177.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.05 -14.8 61.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.848 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.702 ' HG2' ' O ' ' A' ' 43' ' ' THR . 9.2 pt20 -105.84 -44.33 4.66 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.749 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.2 p -68.07 -41.63 81.68 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-O 120.73 0.3 . . . . 0.0 111.695 -174.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.1 tpt -63.39 -41.98 98.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.084 0.469 . . . . 0.0 110.45 179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.541 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 91.8 t -64.02 -47.32 90.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.673 179.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 46' ' ' GLN . 56.3 mt-30 -60.15 -35.73 75.96 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.655 0.264 . . . . 0.0 111.378 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 m -60.95 -45.51 94.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.982 0.42 . . . . 0.0 110.129 176.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 71.7 mt -69.27 -35.06 65.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.604 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' ' 49' ' ' VAL . 82.5 mm-40 -56.72 -26.82 57.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.821 176.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 m -97.63 -44.19 6.89 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.635 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.28 -51.9 66.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.591 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.27 -1.48 26.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.97 -66.55 0.95 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.469 -178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -113.31 9.93 18.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.9 -154.1 10.31 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.159 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.1 118.03 19.1 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.7 m -101.55 -85.51 0.43 Allowed 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.788 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 p 63.71 160.06 0.12 Allowed Pre-proline 0 N--CA 1.476 0.859 0 C-N-CA 123.517 0.727 . . . . 0.0 110.751 -172.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.76 -33.8 33.68 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 123.368 2.712 . . . . 0.0 114.568 -173.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -59.86 -41.23 91.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -175.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -70.16 -19.8 63.18 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.445 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.565 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 4.3 mm? -69.56 -26.97 64.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 178.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.762 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -81.76 -26.11 34.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.483 -179.339 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.33 -35.76 35.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.089 0.471 . . . . 0.0 110.002 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.55 -42.03 83.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.564 ' OD1' ' HA ' ' A' ' 67' ' ' GLN . 1.1 p-10 -74.89 -18.73 60.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.49 -173.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 16.5 ptp -94.32 -17.43 22.62 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.655 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.55 -59.66 2.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.063 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -65.71 -23.61 66.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.059 0.457 . . . . 0.0 110.575 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.76 -38.29 83.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.574 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 t -68.29 -35.03 77.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.517 179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.561 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 5.1 m -70.42 -42.98 70.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.655 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 44.6 mtm -71.25 -24.09 62.12 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.798 179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.79 -46.63 77.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.25 177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 76' ' ' SER . 11.6 pt-20 -71.81 -17.01 62.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.074 0.464 . . . . 0.0 110.544 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 37' ' ' GLN . 66.6 mt -86.12 -41.67 15.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.155 178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 93' ' ' LYS . . . -72.57 -25.63 61.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.187 -179.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.67 13.26 3.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.081 0.467 . . . . 0.0 111.274 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.6 t -78.58 138.49 38.39 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.818 176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -74.21 -15.11 61.01 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -73.98 141.82 45.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.155 178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.18 1.3 89.93 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.7 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 125.46 136.96 4.62 Favored Glycine 0 N--CA 1.449 -0.446 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -84.52 61.35 4.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.39 -175.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.4 p -165.21 158.99 17.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.64 0.257 . . . . 0.0 110.907 177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD23 ' HB1' ' A' ' 81' ' ' ALA . 5.1 mt -85.19 -12.93 51.55 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.468 175.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 m -53.44 -62.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.443 -172.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.45 -33.01 74.63 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.866 0.365 . . . . 0.0 110.987 -177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.496 ' HG2' ' HA ' ' A' ' 81' ' ' ALA . 9.6 mptt -65.18 -61.18 2.29 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.158 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.2 p -58.78 -35.31 72.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.207 -175.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.4 t -68.23 -36.24 79.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.372 -178.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -78.87 -40.86 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.191 -0.318 . . . . 0.0 110.617 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 72.1 mt -53.78 -46.25 62.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-O 121.064 0.459 . . . . 0.0 110.376 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.08 -49.8 72.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.748 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -75.99 -34.27 59.74 Favored 'General case' 0 N--CA 1.435 -1.198 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.167 -174.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.07 -42.6 90.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.653 ' HE3' HG12 ' A' ' 117' ' ' ILE . 32.6 mtm -67.86 -42.08 81.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.473 177.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m -56.57 -47.39 79.61 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.245 0.545 . . . . 0.0 110.237 176.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 3.1 t30 -61.34 -44.67 96.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.784 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.89 -41.56 98.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.614 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -24.2 59.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.715 -177.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.73 -24.16 49.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 85.1 mm-40 -82.09 -25.32 34.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.002 0.429 . . . . 0.0 110.679 177.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 ' HB3' ' A' ' 18' ' ' ASN . 11.1 p -89.37 -61.59 1.67 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -176.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.5 t -120.67 -6.04 9.69 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.946 0.403 . . . . 0.0 111.273 -176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 76.86 16.41 80.8 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.421 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.07 141.98 44.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.47 125.69 66.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.724 0.297 . . . . 0.0 110.779 176.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.505 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.2 t-20 -87.13 91.49 8.73 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.501 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 19.8 tp60 -60.25 -50.94 83.65 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.363 -174.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.501 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 52.1 Cg_exo -53.62 -40.38 79.55 Favored 'Trans proline' 0 C--N 1.361 1.203 0 C-N-CA 121.752 1.634 . . . . 0.0 112.382 179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' O ' HG12 ' A' ' 120' ' ' ILE . 71.2 t80 -58.92 -49.32 78.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.893 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.653 HG12 ' HE3' ' A' ' 101' ' ' MET . 48.7 mt -71.04 -32.23 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.961 -175.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -71.89 -28.98 63.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.715 176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 35.2 tt0 -79.88 -44.77 19.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.421 178.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.558 HG12 ' O ' ' A' ' 116' ' ' PHE . 30.0 mm -56.89 -52.47 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 7.4 p -57.7 -33.99 68.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.958 0.409 . . . . 0.0 111.568 -178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 126' ' ' MET . 34.5 tt0 -75.58 -44.54 42.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.2 179.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 86.2 mt -59.15 -51.05 71.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.023 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 120' ' ' ILE . 85.8 t -55.66 -41.39 64.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.846 -178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.623 ' O ' ' HG2' ' A' ' 129' ' ' GLN . 44.7 m -65.81 -45.71 81.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.507 ' HG2' ' O ' ' A' ' 122' ' ' GLN . 23.2 mmt -71.48 -41.26 69.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.651 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -66.86 -21.06 66.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.606 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -79.33 -30.25 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.99 0.424 . . . . 0.0 110.368 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 125' ' ' SER . 26.5 mm-40 -76.66 -42.09 43.21 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.744 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -101.68 11.28 39.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.507 -177.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -80.97 46.75 3.42 Favored Glycine 0 C--O 1.229 -0.214 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.486 -178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 22.8 ptp -108.07 -5.55 16.97 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.981 0.419 . . . . 0.0 110.568 -177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -165.6 163.11 19.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -80.23 57.89 2.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.899 0.381 . . . . 0.0 111.234 -176.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 21.8 m -78.76 -35.59 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.106 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 14.7 m -115.61 10.98 15.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.343 0.592 . . . . 0.0 110.214 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.505 -0.759 . . . . 0.0 110.238 -178.852 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -96.39 72.38 2.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.162 0.506 . . . . 0.0 110.444 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -170.69 44.49 0.19 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.916 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -70.67 -19.02 62.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.315 0.578 . . . . 0.0 110.089 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 t -164.47 -159.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.213 -0.903 . . . . 0.0 108.625 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -122.41 107.54 12.18 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 25.6 m -71.3 133.75 46.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.479 -168.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -91.67 151.54 42.46 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.4 176.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -71.63 -3.64 13.48 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.879 2.386 . . . . 0.0 114.165 -173.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 66' ' ' LEU . 16.5 m95 -99.05 11.26 39.54 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.937 0.398 . . . . 0.0 110.619 -176.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 p -71.68 -20.91 61.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.703 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -145.31 126.94 7.76 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -65.25 -35.31 41.49 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.644 2.229 . . . . 0.0 112.555 -173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.51 -34.22 63.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.307 176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 tp -68.23 -43.37 78.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 175.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.79 -40.09 87.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.639 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.63 -49.51 76.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.176 0.512 . . . . 0.0 110.477 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -60.26 -41.52 93.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.873 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -63.68 -49.07 74.61 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.745 177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.433 ' SD ' ' HA ' ' A' ' 45' ' ' ALA . 9.8 mmt -58.86 -51.23 70.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.161 -178.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.637 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -59.14 -49.79 76.53 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.169 -0.212 . . . . 0.0 111.121 -179.655 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -63.19 -32.59 74.02 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.075 0.464 . . . . 0.0 111.092 179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -62.84 -52.43 63.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.109 174.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -62.3 -42.59 99.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.694 -178.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 21' ' ' ASN . 82.3 mm-40 -56.93 -41.55 78.4 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.85 0.357 . . . . 0.0 110.741 178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.427 ' O ' ' HG2' ' A' ' 30' ' ' MET . . . -78.45 -39.77 21.15 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.27 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -33.02 73.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.133 0.492 . . . . 0.0 109.794 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.543 ' HA ' HD13 ' A' ' 38' ' ' LEU . 19.7 t -72.82 2.56 6.49 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.225 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.8 t -122.92 0.11 9.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.826 0.346 . . . . 0.0 110.448 175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 96' ' ' SER . 23.3 mmt -87.92 144.0 34.14 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.571 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.17 171.26 18.44 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.513 2.142 . . . . 0.0 112.145 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.455 ' HA3' ' HB ' ' A' ' 92' ' ' THR . . . 93.68 -26.5 15.91 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.776 177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -101.31 -177.56 3.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.034 0.445 . . . . 0.0 111.014 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.598 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 0.2 OUTLIER -141.22 164.35 30.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.3 -32.61 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -172.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.487 ' HB3' ' OE1' ' A' ' 85' ' ' GLU . 22.9 t -70.0 -49.19 54.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.582 -178.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.491 ' NE2' ' HG3' ' A' ' 85' ' ' GLU . 42.6 mt-30 -52.44 -41.52 63.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 0.0 111.456 176.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 28' ' ' SER . 78.4 mt -68.82 -23.17 64.23 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.229 -176.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -68.75 -40.73 79.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.004 0.43 . . . . 0.0 110.22 178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.15 -39.22 68.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.099 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.0 mtt -59.86 -33.5 71.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.501 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t -61.95 -31.63 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.214 0.53 . . . . 0.0 109.834 178.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 100.0 m -74.87 -42.07 58.61 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.763 176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.95 -42.93 91.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.957 0.408 . . . . 0.0 110.377 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.433 ' HA ' ' SD ' ' A' ' 20' ' ' MET . . . -63.49 -10.62 18.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.714 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 50' ' ' GLN . 25.6 tt0 -104.99 -58.47 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.051 0.453 . . . . 0.0 110.936 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.7 t -66.04 -34.84 79.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.039 -172.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -43.66 98.25 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.62 -43.75 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.837 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 46' ' ' GLN . 10.6 mm100 -63.85 -29.66 70.83 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.237 -177.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 t -66.17 -45.74 79.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.9 -32.81 56.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.292 178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -57.08 -55.83 29.66 Favored 'General case' 0 CA--C 1.522 -0.113 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.369 174.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 33.9 t -61.8 -40.06 93.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.65 -179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 tt -59.62 -57.08 14.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.385 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.77 62.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.542 -176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.53 -45.75 16.94 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.842 0.353 . . . . 0.0 111.11 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -82.15 -28.75 31.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.732 -175.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -153.91 -140.68 3.1 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.063 -1.065 . . . . 0.0 113.309 -178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.605 ' HD2' ' N ' ' A' ' 61' ' ' THR . 1.0 OUTLIER -123.17 162.95 21.54 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -178.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.605 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 3.1 m -85.54 -73.72 0.43 Allowed 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -175.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' THR . 19.5 m 80.76 147.35 0.11 Allowed Pre-proline 0 N--CA 1.475 0.78 0 C-N-CA 123.331 0.652 . . . . 0.0 109.979 -170.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -61.42 -19.03 62.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.263 2.642 . . . . 0.0 114.097 -172.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.8 -38.65 91.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.803 0.335 . . . . 0.0 111.508 -177.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -65.81 -35.69 81.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.316 0.579 . . . . 0.0 110.381 -175.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 3.5 mm? -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.417 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -94.2 10.7 32.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.454 0.645 . . . . 0.0 110.654 -177.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.83 -47.34 2.8 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.919 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.67 -30.27 70.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.58 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -63.86 -34.24 77.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 110.815 -177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.7 mtm -85.32 -30.98 23.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.035 0.445 . . . . 0.0 109.859 177.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.38 -54.65 40.93 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.854 -177.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -69.59 -28.04 65.62 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.174 -177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.81 -39.87 87.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.357 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 m -65.61 -41.66 92.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.265 177.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.9 t -63.27 -35.31 79.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.702 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 49.6 mtm -82.03 -23.9 35.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.944 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.73 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.036 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -62.79 -29.15 70.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.753 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.7 mt -79.22 -45.62 23.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 93' ' ' LYS . . . -63.84 -31.69 72.95 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.912 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.467 ' HB2' ' HB1' ' A' ' 128' ' ' ALA . . . -100.13 22.13 11.84 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.265 178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.651 ' O ' ' HA2' ' A' ' 88' ' ' GLY . 27.1 t -67.28 170.36 7.32 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 110.03 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.82 -23.98 59.73 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.501 -175.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.598 ' OE2' ' HB ' ' A' ' 34' ' ' THR . 8.0 pt-20 -94.84 173.09 7.77 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.077 0.465 . . . . 0.0 110.94 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.69 40.07 93.86 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -176.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 84.46 -27.56 4.64 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.124 -0.538 . . . . 0.0 112.398 -177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.651 ' HA2' ' O ' ' A' ' 83' ' ' SER . . . 86.06 -2.06 87.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.599 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 42.5 p -115.12 164.41 14.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.936 0.398 . . . . 0.0 111.534 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.411 HD23 ' HB1' ' A' ' 81' ' ' ALA . 16.9 mt -87.52 12.41 12.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.896 177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -50.95 -40.84 58.44 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -173.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.455 ' HB ' ' HA3' ' A' ' 32' ' ' GLY . 9.0 m -118.93 -15.17 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.05 0.452 . . . . 0.0 111.133 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 81' ' ' ALA . 37.4 mmtm -53.39 -58.17 8.04 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.978 0.732 . . . . 0.0 112.978 -169.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.414 HG21 ' OG ' ' A' ' 125' ' ' SER . 29.5 p -67.03 -35.72 80.52 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -171.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.6 m -63.47 -44.4 94.55 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 120.825 0.345 . . . . 0.0 111.2 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 53.7 m -60.13 -44.8 94.63 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.739 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.73 -47.29 91.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.864 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.508 ' HB2' ' CG2' ' A' ' 121' ' ' THR . . . -56.71 -55.72 30.5 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.184 -177.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.3 m -64.37 -39.29 93.59 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.389 -174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.4 -44.17 88.89 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.296 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.0 mtm -68.26 -38.31 81.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.873 0.368 . . . . 0.0 110.619 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.533 ' HA ' HG11 ' A' ' 112' ' ' VAL . 42.5 m -59.88 -46.35 89.59 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.085 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 107' ' ' GLN . 21.4 t30 -70.0 -36.56 75.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.541 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.91 86.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.44 -174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.53 -19.78 60.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.857 0.36 . . . . 0.0 111.16 -174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 112' ' ' VAL . 55.7 mt -74.21 -27.39 60.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.845 0.355 . . . . 0.0 110.496 174.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 103' ' ' ASN . 66.5 mm-40 -85.04 -17.38 37.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.723 -179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 23.9 p -98.44 -59.82 1.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.44 HG23 ' H ' ' A' ' 111' ' ' VAL . 9.4 t -113.65 -18.02 11.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 111.236 -176.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.17 8.29 63.16 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.509 -0.853 . . . . 0.0 113.011 174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.44 ' H ' HG23 ' A' ' 109' ' ' THR . 7.8 p -147.48 145.28 19.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.533 HG11 ' HA ' ' A' ' 102' ' ' SER . 2.5 t -121.79 155.48 26.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-O 121.072 0.463 . . . . 0.0 111.534 -176.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -97.32 97.02 8.78 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.494 ' HB3' ' HD3' ' A' ' 115' ' ' PRO . 24.8 tp60 -65.6 -49.02 63.68 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.54 -173.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 114' ' ' GLN . 50.7 Cg_exo -55.27 -39.12 92.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 C-N-CA 121.787 1.658 . . . . 0.0 112.085 177.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.593 ' O ' HG12 ' A' ' 120' ' ' ILE . 58.9 t80 -54.51 -51.97 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.793 176.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.504 HD11 ' CG1' ' A' ' 112' ' ' VAL . 62.0 mt -65.26 -42.67 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.44 -176.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -69.45 -17.8 63.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 123' ' ' LEU . 34.4 tt0 -88.81 -40.77 12.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.197 176.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 116' ' ' PHE . 32.1 mm -58.62 -44.32 89.34 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.064 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' A' ' 98' ' ' ALA . 19.5 p -55.4 -36.75 66.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.059 0.457 . . . . 0.0 111.082 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -81.88 -37.31 27.08 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.375 -177.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 119' ' ' GLU . 89.4 mt -56.76 -51.34 69.28 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 175.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.8 -41.73 83.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.749 179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.414 ' OG ' HG21 ' A' ' 94' ' ' THR . 46.2 m -64.57 -47.79 77.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.557 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -25.23 40.9 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -173.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -77.62 -39.1 46.43 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.545 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 82' ' ' ALA . . . -69.52 -33.9 73.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.033 0.444 . . . . 0.0 111.577 -177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -96.69 -57.41 2.3 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.416 -178.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . 68.22 -52.49 0.54 Allowed 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.892 0.745 . . . . 0.0 111.521 -173.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 144.26 -62.01 0.49 Allowed Glycine 0 N--CA 1.445 -0.73 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 133' ' ' ASN . 0.0 OUTLIER -85.11 -51.8 6.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.511 -0.345 . . . . 0.0 110.426 177.124 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 132' ' ' MET . 16.0 t-20 173.91 136.66 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.676 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -135.39 18.11 3.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.478 0.656 . . . . 0.0 109.77 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 59.6 t -67.08 -35.33 74.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.362 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.5 m -100.96 76.53 1.76 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.565 -0.731 . . . . 0.0 111.467 -173.964 . . . . . . . . 0 0 . 1 stop_ save_