data_2mcn_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 2mcn _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 5.0 m-30 -103.25 167.62 9.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.503 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.4 121.69 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.266 -0.879 . . . . 10.0 108.935 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.542 ' CG2' ' HB ' ' A' ' 20' ' ' ILE . 30.0 m -97.43 107.02 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 3.5 mp0 -97.23 96.43 8.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 118.555 -1.258 . . . . 10.0 108.61 176.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -178.14 -171.45 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.296 -1.32 . . . . 10.0 108.339 178.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -133.34 34.05 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.084 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -58.89 135.11 57.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -112.71 130.92 55.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.621 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.505 ' H ' ' HG1' ' A' ' 19' ' ' THR . . . -54.08 119.33 4.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -90.43 -24.8 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.143 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.471 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 29.4 m80 -127.35 175.62 8.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.718 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.18 -39.97 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 48' ' ' MET . 5.3 p-10 -78.8 -1.2 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HG2' ' HB2' ' A' ' 14' ' ' HIS . 50.4 mm-40 -91.48 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.39 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 140.32 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.505 ' HG1' ' H ' ' A' ' 12' ' ' ALA . 96.2 m -86.72 113.48 22.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.584 -0.446 . . . . 10.0 109.812 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.542 ' HB ' ' CG2' ' A' ' 6' ' ' VAL . 22.1 pt -113.19 123.64 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.959 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -122.88 161.35 24.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.686 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.541 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 20.1 t -47.64 124.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.456 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.01 -20.31 37.07 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.738 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.1 115.12 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.072 0.436 . . . . 10.0 111.041 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.6 pt -90.44 129.09 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.457 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.522 ' CG2' ' HA3' ' A' ' 40' ' ' GLY . 1.4 mp -96.07 123.37 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.332 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -70.91 144.89 50.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.351 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 35.71 70.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.2 130.21 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.016 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -130.27 132.67 46.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.808 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.38 126.95 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.44 178.62 6.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.964 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 7.1 mp0 -93.89 128.37 40.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.602 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 17.7 tt0 -57.59 118.22 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.114 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.89 -32.63 5.72 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.869 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 15.5 m95 -73.1 124.28 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 10.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 48' ' ' MET . 32.5 mt -126.4 149.59 49.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -116.15 138.45 51.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 10.0 110.255 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.522 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -164.47 178.24 39.8 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.095 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 4.3 mp0 -108.88 115.51 30.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.988 0.423 . . . . 10.0 110.744 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.6 tt -133.1 128.2 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.757 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' N ' HD23 ' A' ' 42' ' ' LEU . 12.9 t-20 61.78 32.0 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.426 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.38 4.86 75.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.001 -0.619 . . . . 10.0 113.354 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -117.46 129.5 55.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 10.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -91.69 120.44 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.715 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.85 167.55 33.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.657 -0.783 . . . . 10.0 112.811 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.494 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 20.1 ptp -93.68 151.93 19.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -152.5 150.59 25.32 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.24 145.15 78.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.596 2.197 . . . . 10.0 112.545 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -78.26 -22.32 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.648 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.498 HD22 ' CD ' ' B' ' 6' ' ' LYS . 8.1 m-80 -76.25 4.89 7.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.522 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.09 -6.69 8.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.383 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.509 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 14.2 p -116.7 144.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.325 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -130.35 108.55 10.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.699 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 4' ' ' TYR . 29.5 tt0 -54.54 122.5 10.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 10.0 111.732 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.1 tt -121.64 101.38 10.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.698 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.453 ' SD ' ' HD3' ' B' ' 19' ' ' PRO . 23.2 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.698 0.285 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -108.89 155.31 20.97 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -143.02 141.81 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.861 0.362 . . . . 10.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.45 158.94 21.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.377 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -145.0 119.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.498 ' CD ' HD22 ' A' ' 52' ' ' ASN . 45.8 tttt -83.24 117.5 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.68 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -99.75 127.17 45.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -40.07 -40.62 1.1 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.423 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 66.9 p -58.97 -54.52 46.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 10.0 110.718 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.602 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.66 24.69 0.11 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.917 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -113.86 133.01 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.014 0.435 . . . . 10.0 111.784 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -98.89 84.3 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.672 -0.695 . . . . 10.0 109.453 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 pt -79.15 110.57 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.376 0.608 . . . . 10.0 110.873 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 54.1 m -95.47 109.08 21.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.551 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.52 155.24 19.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.469 0.915 . . . . 10.0 113.469 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.481 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -76.14 138.1 40.51 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.09 -0.959 . . . . 10.0 110.578 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -165.3 159.3 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.895 0.378 . . . . 10.0 111.563 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' B' ' 18' ' ' GLU . 8.6 mp0 -117.67 158.24 45.9 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.279 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.453 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 27.7 Cg_endo -62.7 -20.72 71.78 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.355 2.036 . . . . 10.0 112.165 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.0 p -92.38 -11.53 34.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.303 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.48 147.72 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.028 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 23.7 p -91.97 162.32 14.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.008 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 31.3 mm -69.56 -34.95 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.8 -32.56 71.9 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.158 0.504 . . . . 10.0 109.71 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -71.67 -56.89 4.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.851 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -45.84 -33.55 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.051 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.15 -42.85 88.49 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.903 0.383 . . . . 10.0 110.258 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -52.1 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.092 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -49.57 -32.27 12.29 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.091 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.416 HG21 HD11 ' B' ' 30' ' ' ILE . 38.7 mt -77.92 -37.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.203 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.492 HE21 ' C ' ' B' ' 36' ' ' ILE . 3.8 tp-100 -76.05 -6.28 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.312 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.67 -9.68 15.79 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.426 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -124.55 -15.3 6.63 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.667 -0.242 . . . . 10.0 111.604 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.14 -10.4 2.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.979 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.12 40.82 99.63 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.083 -0.58 . . . . 10.0 113.504 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.492 ' C ' HE21 ' B' ' 31' ' ' GLN . 45.8 mm -106.87 111.96 63.56 Favored Pre-proline 0 C--O 1.233 0.198 0 CA-C-N 116.749 0.274 . . . . 10.0 110.761 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.81 132.94 17.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.929 2.419 . . . . 10.0 113.03 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.8 -38.67 78.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.866 2.377 . . . . 10.0 112.684 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.58 -13.14 61.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.122 0.487 . . . . 10.0 110.752 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -117.61 21.69 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.009 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -118.24 101.87 8.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.214 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.595 HH22 HE21 ' B' ' 49' ' ' GLN . 14.1 mmm180 -97.6 120.18 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.896 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -112.05 119.71 39.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.389 -0.368 . . . . 10.0 110.107 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.2 128.58 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 10.0 110.722 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -134.99 131.7 37.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.907 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.0 20.34 12.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.275 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.69 28.76 34.3 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.101 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -154.94 125.76 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 10.0 110.751 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.595 HE21 HH22 ' B' ' 42' ' ' ARG . 3.6 pt20 -56.17 140.96 42.58 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -89.58 121.52 31.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.657 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.596 ' C ' ' H ' ' B' ' 53' ' ' GLY . 36.1 mt-10 -80.25 126.77 31.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.369 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.9 p-10 -57.35 -6.62 0.45 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -100.0 11.48 60.55 Favored Glycine 0 N--CA 1.433 -1.516 0 CA-C-N 114.669 -1.151 . . . . 10.0 114.315 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -135.33 162.5 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 117.149 0.474 . . . . 10.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.9 p -99.14 168.89 9.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.7 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.71 -44.58 86.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -49.97 -32.45 15.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.575 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.62 -46.88 88.6 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.051 0.453 . . . . 10.0 110.27 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.06 22.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.569 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 41.75 36.45 0.61 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.044 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -77.91 107.59 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 10.0 111.238 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -93.27 -175.65 3.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -68.09 156.22 37.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 64.31 25.86 13.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.475 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -70.91 -161.41 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.951 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -159.12 90.9 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 10.0 110.737 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.5 156.58 23.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.683 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -116.38 116.14 27.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.196 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.1 tp -98.58 113.13 25.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.749 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.7 m . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.195 179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 CA--C 1.524 -0.02 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 56' ' ' GLU . 7.6 m-85 -132.87 166.14 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 10.0 111.3 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.5 mt -120.11 116.95 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 107.461 -1.311 . . . . 10.0 107.461 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 15.3 m -96.6 106.59 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -176.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 43.1 tt0 -97.22 97.18 8.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -175.67 171.01 2.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.516 -1.22 . . . . 10.0 109.097 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.9 28.86 8.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.918 0.389 . . . . 10.0 110.489 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.21 141.09 58.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.795 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.71 141.49 51.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.171 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -53.72 118.98 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -91.98 -28.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.255 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 15' ' ' ASP . 5.8 t-160 -129.28 -179.87 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.419 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 5.1 p-10 -67.06 -44.45 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.991 0.424 . . . . 10.0 110.861 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -1.46 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.29 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 14' ' ' HIS . 11.8 mm-40 -94.78 139.58 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 10.0 110.509 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 tp -106.13 139.88 39.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.412 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 4.5 t -86.99 113.94 23.17 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.542 ' HB ' ' CG2' ' A' ' 6' ' ' VAL . 19.6 pt -113.07 125.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.433 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -116.09 152.29 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.39 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 18.6 m -47.25 124.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -19.13 52.49 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.797 -0.638 . . . . 10.0 113.587 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.38 119.05 12.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 10.0 111.046 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.1 pt -91.06 128.76 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.488 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 31.7 mt -99.19 128.96 50.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.429 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -79.74 145.36 32.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.153 0.502 . . . . 10.0 111.663 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 48.75 56.98 6.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.866 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG2' ' HB ' ' A' ' 26' ' ' ILE . 74.1 t -81.57 123.67 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.299 . . . . 10.0 110.392 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -132.23 150.21 52.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.79 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -72.71 130.71 41.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' A' ' 33' ' ' GLN . 15.3 tp -89.62 167.24 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.371 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.424 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 24.7 tp60 -68.1 -15.7 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 10.0 110.394 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.77 130.9 38.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.629 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' CG ' ' HA2' ' B' ' 10' ' ' GLY . 0.7 OUTLIER -64.59 123.28 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.972 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 86.26 12.04 71.23 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.713 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CD1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -127.36 126.41 42.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.996 0.427 . . . . 10.0 110.995 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -125.37 157.26 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -116.39 138.18 51.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 10.0 110.374 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.7 176.57 40.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.326 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.59 116.08 30.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 10.0 110.489 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.5 tp -135.72 133.02 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.633 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 61.44 31.65 19.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.425 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 19.99 79.07 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.133 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 45' ' ' ARG . 33.1 mtm-85 -136.93 129.79 30.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.31 . . . . 10.0 110.662 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -89.17 123.28 33.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.114 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.96 167.15 33.2 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.957 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 57.6 mtt -88.5 147.39 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.662 0.268 . . . . 10.0 110.319 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -147.01 148.3 32.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 10.0 111.513 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 51.2 Cg_exo -56.83 136.54 77.02 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.976 2.451 . . . . 10.0 112.704 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 53' ' ' PHE . 5.8 p-10 -66.02 -41.09 91.41 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -68.24 4.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 9.1 m-30 -113.36 -15.22 12.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 10.0 109.977 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 3.6 m -111.58 146.91 15.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.362 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.3 124.69 27.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.432 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 9.2 tp10 -43.83 137.6 3.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.016 0.436 . . . . 10.0 111.976 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.3 tt -75.22 130.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.559 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.106 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.54 0.21 . . . . 10.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -111.03 156.95 20.52 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 10.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 pt -139.19 141.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.605 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.34 113.15 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.649 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -94.78 141.4 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.16 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.491 ' HZ3' ' CE1' ' B' ' 68' ' ' HIS . 7.5 mtpm? -100.84 126.46 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.477 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -95.22 170.23 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.282 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.54 -7.38 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 10.0 111.148 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.0 m -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.262 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.534 ' HA2' ' CG ' ' A' ' 35' ' ' GLU . . . 143.7 15.54 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.273 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -108.33 136.38 48.06 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.9 p -102.79 91.64 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.532 -0.914 . . . . 10.0 108.532 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 pt -85.29 112.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.161 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 28.2 m -81.85 141.65 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.14 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -135.01 144.86 47.59 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.208 0.448 . . . . 10.0 112.208 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -81.87 122.47 27.77 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.159 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -155.77 161.68 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.199 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.92 161.26 39.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.428 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.55 -27.81 85.89 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.56 2.173 . . . . 10.0 112.43 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -86.34 -7.03 58.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.585 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.71 146.84 49.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 10.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -91.07 161.35 15.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.151 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.491 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -69.92 -34.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.377 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.66 -32.22 72.37 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.074 0.464 . . . . 10.0 109.772 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.85 -56.54 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.522 -0.763 . . . . 10.0 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -45.52 -30.88 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.902 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -71.73 -39.55 70.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.04 29.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.423 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -98.88 -22.22 15.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.915 -1.142 . . . . 10.0 107.915 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.412 HG23 HD12 ' B' ' 30' ' ' ILE . 43.6 mt -86.93 -32.94 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.734 -1.121 . . . . 10.0 109.765 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.407 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 8.7 tt0 -80.29 -4.28 52.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.124 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -107.51 -12.82 15.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.998 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -117.49 -30.33 5.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -119.06 -12.82 9.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.823 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.03 34.07 80.68 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.797 -0.716 . . . . 10.0 113.402 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.45 119.75 59.47 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.762 0.281 . . . . 10.0 110.679 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.26 133.49 52.93 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.754 2.303 . . . . 10.0 112.743 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 34.2 Cg_exo -60.31 -38.39 75.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.813 2.342 . . . . 10.0 112.118 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.56 -21.1 66.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -112.34 19.67 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.612 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.474 ' HG2' ' CD1' ' B' ' 43' ' ' LEU . 8.6 tt0 -115.58 99.38 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.436 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.375 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.474 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 9.6 mp -111.42 120.6 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.357 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.479 HG21 HD12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -125.29 127.8 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -135.34 135.19 40.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.642 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 16.94 10.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.87 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.98 5.5 67.99 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.202 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -128.47 128.04 43.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.956 0.408 . . . . 10.0 111.519 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.457 ' NE2' ' N ' ' B' ' 43' ' ' LEU . 45.0 tp60 -63.48 130.71 45.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.328 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -76.86 127.0 31.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.486 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' B' ' 53' ' ' GLY . 36.8 mt-10 -85.54 131.29 34.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.71 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.491 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.4 p-10 -59.08 -10.33 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.079 0.466 . . . . 10.0 110.359 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -100.19 11.92 60.28 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.513 -0.767 . . . . 10.0 113.557 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -117.92 -172.48 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 10.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.548 ' C ' ' H ' ' B' ' 57' ' ' SER . 52.5 p -132.17 159.03 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.817 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.4 8.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.548 ' H ' ' C ' ' B' ' 55' ' ' THR . 47.1 t -103.54 -28.23 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.42 -41.28 93.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.976 -1.011 . . . . 10.0 110.21 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -96.58 20.89 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.546 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.74 40.93 2.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mm -80.63 103.76 8.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -90.17 -177.39 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.01 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.0 159.38 28.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.721 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 59.74 26.67 15.82 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.576 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -91.61 146.73 23.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.8 t -104.82 111.52 24.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.85 149.8 20.86 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.775 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.491 ' CE1' ' HZ3' ' B' ' 6' ' ' LYS . 1.1 t60 -106.82 125.58 51.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 10.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -105.83 115.8 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.062 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.461 -179.595 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.516 0.198 . . . . 10.0 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 14.4 m-30 -113.67 167.61 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.7 mt -117.35 118.08 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.497 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 21.3 t -98.75 105.81 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 54.1 tp10 -102.8 95.35 6.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.042 -1.063 . . . . 10.0 108.369 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -178.72 177.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.507 -1.224 . . . . 10.0 109.496 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.38 106.48 14.05 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 50' ' ' PRO . 64.9 t80 -141.41 133.94 28.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.994 0.426 . . . . 10.0 111.667 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -118.74 135.29 54.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.711 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.538 ' H ' HG21 ' A' ' 19' ' ' THR . . . -58.53 123.27 15.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.225 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.36 -27.95 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -122.01 172.92 7.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.42 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.33 -38.37 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -80.16 3.24 21.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.104 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -97.65 146.64 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -106.52 138.93 41.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.758 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.538 HG21 ' H ' ' A' ' 12' ' ' ALA . 30.3 p -86.53 113.9 22.82 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.458 ' HB ' HG13 ' A' ' 6' ' ' VAL . 15.3 pt -115.28 126.53 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 10.0 111.189 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 35.5 ttp180 -119.87 159.7 24.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.631 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 6.0 m -46.31 124.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.271 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 -19.02 35.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.069 -0.586 . . . . 10.0 113.525 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -68.63 114.35 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 10.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.4 pt -89.1 133.96 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.691 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 ' CE1' ' A' ' 49' ' ' PHE . 3.5 mm -99.72 122.62 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.089 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.53 147.41 39.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 10.0 111.727 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.5 m120 42.32 62.04 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.534 -0.757 . . . . 10.0 112.697 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 3.1 t -84.67 127.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.011 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 140.66 46.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -59.45 133.37 56.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 36.3 tp -94.95 167.67 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.181 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 1.7 mp0 -72.0 -7.46 48.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -97.32 127.42 43.26 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.152 0.501 . . . . 10.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.6 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 29.4 tt0 -59.54 120.11 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.428 -0.806 . . . . 10.0 112.16 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' CE ' ' B' ' 6' ' ' LYS . . . 82.97 17.91 66.4 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -128.98 125.89 38.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.285 0.564 . . . . 10.0 111.18 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 48' ' ' MET . 7.3 mt -116.38 151.49 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.33 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 14.5 tp10 -115.48 138.1 51.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.3 -178.45 38.47 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.47 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.17 115.94 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 10.0 111.17 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD22 ' CD1' ' A' ' 26' ' ' ILE . 29.9 tp -132.32 129.52 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.035 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.476 HD21 HH21 ' A' ' 45' ' ' ARG . 41.7 m-20 60.94 29.53 19.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.277 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.95 78.32 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.887 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.476 HH21 HD21 ' A' ' 43' ' ' ASN . 38.0 mtm105 -129.27 129.92 45.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 10.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -90.58 113.7 25.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.52 162.89 29.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.173 -1.013 . . . . 10.0 113.393 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 48' ' ' MET . 1.8 mpt? -90.18 150.06 22.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.616 -0.292 . . . . 10.0 110.423 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.431 ' CE1' HG23 ' A' ' 26' ' ' ILE . 12.9 p90 -152.13 153.23 30.91 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.949 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 52.9 Cg_exo -54.82 138.4 76.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.654 2.236 . . . . 10.0 112.391 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.411 ' HA ' HG13 ' A' ' 54' ' ' VAL . 17.1 m-20 -79.29 -14.38 59.05 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.482 HD22 ' HE2' ' B' ' 68' ' ' HIS . 27.7 p-10 -84.47 7.6 19.23 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 21.3 m-85 -121.29 -17.76 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.396 . . . . 10.0 110.312 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 4.4 p -102.88 144.24 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.72 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -130.81 117.05 18.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 1.1 mp0 -44.24 138.93 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.591 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.454 HG23 HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -74.57 127.26 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.123 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.2 tpmt? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.921 . . . . 10.0 110.694 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.503 0.192 . . . . 10.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -110.27 157.72 19.16 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.685 0.278 . . . . 10.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' B' ' 14' ' ' THR . 33.9 pt -140.96 144.16 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.32 112.63 25.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.896 0.379 . . . . 10.0 111.866 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.76 144.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.486 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.427 ' HZ2' ' CE1' ' B' ' 68' ' ' HIS . 54.8 mtpt -98.72 123.56 43.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.516 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.2 m -103.48 130.22 50.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -37.78 -52.72 1.29 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.49 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -47.53 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.6 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 152.16 26.38 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.526 -0.845 . . . . 10.0 113.348 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -116.51 124.87 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 112.127 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -87.37 87.81 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.171 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 13' ' ' ILE . 13.2 pt -81.78 106.8 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.498 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.7 t -80.73 152.34 28.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -148.1 147.53 29.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.016 0.436 . . . . 10.0 112.151 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.88 133.15 40.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.299 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.31 160.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.18 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -122.25 159.15 53.43 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.493 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.01 -23.73 70.01 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.683 2.255 . . . . 10.0 112.899 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 m -91.16 -9.37 45.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.585 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.95 146.98 52.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 10.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -91.31 165.15 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.171 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.472 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 32.5 mm -72.53 -34.65 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.251 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.78 -32.05 71.39 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -72.49 -58.67 3.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.915 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.21 -32.29 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.112 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -66.02 -46.78 76.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.958 0.409 . . . . 10.0 109.983 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -58.33 -52.54 65.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.958 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -49.33 -30.05 6.98 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.22 -38.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.4 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 16.9 pt20 -80.31 -0.99 39.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.874 0.369 . . . . 10.0 110.381 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -105.57 -11.12 16.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.994 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -123.4 -27.62 4.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.972 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -118.04 -13.23 10.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.613 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.3 90.04 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.809 -0.71 . . . . 10.0 113.235 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -101.52 117.15 62.53 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.562 0.181 . . . . 10.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.17 139.27 35.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.568 2.179 . . . . 10.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.71 -37.12 22.18 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.619 2.213 . . . . 10.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.92 -11.56 60.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.671 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -118.14 19.64 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.137 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.409 ' HG2' ' CD1' ' B' ' 43' ' ' LEU . 7.3 tt0 -118.04 103.56 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.207 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -100.87 121.23 41.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.852 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.409 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 8.4 mp -111.0 116.12 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.485 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -117.29 127.41 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD12 ' B' ' 50' ' ' LEU . 86.2 t80 -132.99 132.44 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.74 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 29.47 17.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.574 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.52 32.0 62.46 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -148.33 115.4 6.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.722 0.296 . . . . 10.0 110.698 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -57.0 131.15 48.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.112 0.482 . . . . 10.0 111.528 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' B' ' 45' ' ' PHE . 3.1 mp -80.58 122.43 27.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.272 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.606 ' C ' ' H ' ' B' ' 53' ' ' GLY . 8.4 mm-40 -81.12 129.38 34.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.808 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.472 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.1 p30 -58.34 -5.28 0.48 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.606 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.39 11.51 58.27 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 114.585 -1.189 . . . . 10.0 114.364 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -134.35 160.74 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.246 0.523 . . . . 10.0 111.457 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 4.9 t -98.15 166.92 11.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.541 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mp -55.7 -46.22 77.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 10.0 109.917 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -49.44 -32.2 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.615 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.05 -47.41 85.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.076 0.465 . . . . 10.0 110.09 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -94.03 23.59 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.631 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.05 37.51 0.57 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.15 106.25 8.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.472 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.75 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.89 155.06 41.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.051 0.453 . . . . 10.0 111.555 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 68.81 23.87 6.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p -91.69 147.8 22.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -106.48 109.78 21.79 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 113.533 0.938 . . . . 10.0 113.533 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -89.73 157.77 17.83 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.087 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.482 ' HE2' HD22 ' A' ' 52' ' ' ASN . 40.5 m-70 -113.9 119.66 38.03 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.732 0.301 . . . . 10.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.07 115.21 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.362 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--N 1.334 -0.104 0 CA-C-O 121.149 0.5 . . . . 10.0 111.809 -179.907 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 110.413 -0.218 . . . . 10.0 110.413 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.576 ' CD1' HG22 ' A' ' 29' ' ' VAL . 15.8 m-30 -109.27 167.64 9.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.458 . . . . 10.0 111.117 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.8 tt -121.91 118.75 56.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.152 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -94.84 107.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -177.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 17.4 mm-40 -97.37 97.38 9.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 119.175 -1.01 . . . . 10.0 109.121 177.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -178.03 -177.87 0.64 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.214 178.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -124.07 29.2 6.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.868 0.366 . . . . 10.0 110.869 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.416 ' HB3' HG13 ' A' ' 20' ' ' ILE . 14.4 t80 -59.6 137.29 58.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -118.32 135.15 54.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.389 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.52 119.61 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 t -90.04 -17.66 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.946 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.422 ' HB2' HH12 ' B' ' 42' ' ' ARG . 9.3 t-80 -132.78 170.95 14.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.291 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.17 -39.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.146 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.32 1.04 19.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.356 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -103.12 136.17 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 19' ' ' THR . 3.3 tm? -93.57 144.12 25.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.455 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.528 ' H ' HD22 ' A' ' 18' ' ' LEU . 54.4 m -89.21 114.64 25.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.453 ' HB ' HG22 ' A' ' 6' ' ' VAL . 28.6 pt -109.47 123.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 10.0 111.461 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -119.07 154.74 32.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.819 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 8' ' ' TYR . 10.7 m -49.23 123.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.999 0.428 . . . . 10.0 112.057 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.81 -19.51 54.33 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.621 -0.718 . . . . 10.0 113.4 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.24 140.34 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 10.0 110.674 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.0 pt -111.25 127.62 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.785 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -94.08 114.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.354 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.45 HH22 ' H ' ' A' ' 44' ' ' GLY . 40.0 mtm180 -69.48 145.99 52.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.427 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 t30 39.31 69.18 0.3 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.677 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 4' ' ' TYR . 27.2 m -76.19 128.53 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.295 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -131.66 119.48 21.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.507 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -62.12 131.07 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.186 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 tp -88.25 166.37 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.465 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -72.15 -3.19 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -102.31 133.32 47.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.64 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 22.6 tt0 -67.08 121.41 15.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.805 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 90.55 8.58 65.67 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.873 -0.68 . . . . 10.0 112.405 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.405 ' CZ2' HG11 ' B' ' 70' ' ' VAL . 10.7 m95 -119.27 125.12 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 10.0 110.604 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -129.15 147.7 51.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.834 -1.173 . . . . 10.0 107.834 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' H ' HD23 ' A' ' 38' ' ' LEU . 1.8 tm-20 -115.36 138.68 50.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 10.0 110.708 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.42 173.13 41.14 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.266 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 5.0 mp0 -108.91 115.71 30.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 10.0 109.965 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.89 136.42 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.218 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 61.81 29.39 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.751 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.45 ' H ' HH22 ' A' ' 27' ' ' ARG . . . 74.28 15.29 80.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.802 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -139.62 131.49 27.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.867 0.365 . . . . 10.0 110.614 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -87.32 131.73 34.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.38 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.42 166.56 35.36 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.491 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.3 mpp? -89.53 147.99 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 10.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -146.88 150.4 39.03 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.934 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 50.7 Cg_exo -54.81 129.82 37.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.694 2.262 . . . . 10.0 112.543 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -20.81 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.888 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.576 HD21 ' N ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -82.66 4.24 25.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.647 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 22.5 m-30 -118.48 -5.26 10.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 10.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 7.6 p -110.55 142.52 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.889 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -127.25 113.75 16.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 26.7 tt0 -53.29 136.59 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 10.0 112.152 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.4 mt -85.23 129.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.966 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.335 -0.841 . . . . 10.0 110.811 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.532 0.206 . . . . 10.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.32 157.79 21.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 10.0 110.317 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' B' ' 14' ' ' THR . 36.6 pt -140.87 145.53 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.414 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' B' ' 66' ' ' THR . 52.9 m-85 -105.09 112.6 25.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 10.0 111.612 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -95.09 139.64 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.702 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -94.19 123.17 37.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.3 m -101.84 127.34 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.943 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -38.98 -44.42 1.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.095 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -55.66 -57.38 12.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.687 0.279 . . . . 10.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.564 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 151.07 18.59 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.402 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -109.09 135.16 50.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.113 0.483 . . . . 10.0 112.106 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.2 p -100.09 84.91 2.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.218 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 pt -79.06 113.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 10.0 111.73 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.2 t -92.11 125.16 36.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.175 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -120.23 148.19 43.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -75.49 132.76 40.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.175 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 p -162.56 158.35 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 10.0 111.307 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -117.85 159.67 41.7 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.406 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.14 -22.52 74.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.584 2.189 . . . . 10.0 112.505 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -91.19 -9.51 45.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.566 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.24 149.19 48.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 10.0 111.028 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.512 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 35.2 p -93.29 161.86 14.23 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.219 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.431 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.0 mm -68.05 -36.32 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.038 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -58.49 -37.13 74.9 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.656 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.512 ' H ' ' HG1' ' B' ' 22' ' ' THR . 83.6 m-20 -68.49 -56.33 8.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.08 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -46.55 -33.12 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.131 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -66.31 -44.05 84.52 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.92 0.39 . . . . 10.0 110.348 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.68 68.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.884 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -49.08 -32.75 10.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.332 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.1 mt -76.15 -40.27 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.994 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -76.41 -5.15 46.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.366 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -102.5 -16.16 16.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.383 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -126.37 -6.02 6.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -133.29 -17.46 2.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.986 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.04 35.74 89.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.952 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.436 ' HB ' HE21 ' B' ' 41' ' ' GLN . 43.2 mm -104.01 122.41 44.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.97 136.89 77.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.44 2.093 . . . . 10.0 112.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.89 -35.26 56.73 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.718 2.279 . . . . 10.0 112.137 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.0 -15.16 63.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.356 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -115.13 22.1 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.493 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.436 HE21 ' HB ' ' B' ' 36' ' ' ILE . 38.1 mt-30 -115.68 103.25 10.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.548 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.422 HH12 ' HB2' ' A' ' 14' ' ' HIS . 64.1 mtm180 -100.24 115.71 30.53 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.5 mp -108.21 114.64 28.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.401 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 10.0 111.147 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -133.99 131.45 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . . . 62.55 20.7 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.916 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' B' ' 48' ' ' LYS . . . 85.15 17.45 62.78 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.183 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' B' ' 47' ' ' GLY . 2.3 mptp? -140.25 124.29 17.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.402 . . . . 10.0 111.42 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -55.52 141.01 38.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.721 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.62 121.56 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.06 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' B' ' 53' ' ' GLY . 37.9 mt-10 -79.75 122.9 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.453 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.431 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.2 p-10 -45.82 -24.52 0.39 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.523 0.678 . . . . 10.0 109.407 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -68.8 -70.15 1.22 Allowed Glycine 0 N--CA 1.434 -1.496 0 CA-C-N 114.585 -1.189 . . . . 10.0 112.488 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -53.65 165.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 41.8 p -106.94 171.79 7.17 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 114.285 -1.325 . . . . 10.0 109.843 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.88 -48.77 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 110.494 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.6 p -48.7 -30.92 6.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.817 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.09 -41.85 98.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.946 0.403 . . . . 10.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -101.02 25.84 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.511 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p30 41.29 36.92 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.106 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.98 103.62 4.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.838 0.351 . . . . 10.0 111.302 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -92.42 -178.76 5.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -63.28 158.26 20.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.706 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 61.54 26.27 16.03 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.401 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.4 p -89.81 143.99 26.34 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.447 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 35.7 m -105.99 108.7 20.35 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.7 mt -88.62 162.25 16.44 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.132 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -117.47 118.79 33.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.509 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -101.2 114.23 28.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.869 0.366 . . . . 10.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.405 HG11 ' CZ2' ' A' ' 37' ' ' TRP . 5.7 t . . . . . 0 C--O 1.233 0.21 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.257 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.481 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 2.8 m-30 -108.1 160.09 16.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.11 117.02 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 107.969 -1.122 . . . . 10.0 107.969 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -102.86 110.62 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.072 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 45.7 mt-10 -99.42 95.97 7.38 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.379 -1.341 . . . . 10.0 107.379 175.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 34.9 t80 -176.54 167.72 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.511 -1.222 . . . . 10.0 109.261 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.46 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 t70 -108.9 106.52 16.54 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -136.79 125.87 24.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 10.0 110.863 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -110.99 132.68 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -56.7 119.51 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.3 -15.9 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.773 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.413 ' HB3' ' HG2' ' A' ' 17' ' ' GLU . 35.8 t60 -131.99 169.87 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.005 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.48 -45.01 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 10.0 110.764 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.09 -1.32 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG2' ' HB3' ' A' ' 14' ' ' HIS . 75.3 mm-40 -97.21 142.62 28.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 10.0 110.54 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 tp -106.2 141.4 37.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.352 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.481 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 5.0 t -90.47 115.58 27.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 10.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.454 HD12 HG22 ' A' ' 20' ' ' ILE . 7.0 pt -122.34 131.66 72.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.127 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 mpt_? -117.94 160.83 20.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.536 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.565 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.3 t -49.12 123.94 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.193 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -18.17 55.43 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.85 -0.614 . . . . 10.0 113.403 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HG3' ' H ' ' A' ' 21' ' ' ARG . 19.2 mm-40 -60.77 145.69 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 10.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 tt -116.73 120.59 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.904 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 ' CE2' ' A' ' 49' ' ' PHE . 13.5 mt -94.09 124.28 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.373 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -78.18 149.79 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 10.0 111.736 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 42.99 59.87 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.997 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 4' ' ' TYR . 86.2 t -80.99 122.25 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 10.0 110.41 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -125.0 127.18 46.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.5 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -65.68 122.26 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.09 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -84.33 178.08 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.234 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.63 -16.44 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.723 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -83.77 126.26 32.74 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.144 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.04 124.38 22.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.904 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.98 8.0 84.69 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.407 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -129.52 125.22 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 10.0 111.137 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 4.3 mt -122.74 162.03 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.315 -0.857 . . . . 10.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -116.04 139.33 50.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.08 177.77 40.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.485 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -111.08 116.44 31.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 10.0 110.781 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -133.28 129.1 37.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.861 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.4 t30 61.95 31.93 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.01 19.08 79.8 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.334 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -136.28 129.96 32.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 10.0 110.717 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -88.67 123.88 33.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.212 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.25 165.9 32.97 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.901 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 48' ' ' MET . 2.0 mpt? -85.65 148.16 26.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 4.2 p90 -147.68 156.08 44.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.955 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.533 ' CB ' ' CE1' ' B' ' 68' ' ' HIS . 41.5 Cg_endo -66.7 141.66 60.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 10.0 112.394 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.59 -34.08 64.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.294 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -70.29 0.5 6.3 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CE2' ' A' ' 8' ' ' TYR . 12.4 m-30 -110.23 -24.32 10.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 10.0 109.961 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 25.4 m -103.17 149.39 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.372 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.28 106.49 8.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.406 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' HA ' ' CG ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.48 122.83 7.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 tp -122.43 101.09 9.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.388 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.014 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.468 0.175 . . . . 10.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -115.15 158.97 21.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.658 0.266 . . . . 10.0 110.322 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' B' ' 14' ' ' THR . 42.9 pt -140.02 144.72 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.844 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.436 ' HB3' ' CG2' ' B' ' 12' ' ' THR . 30.0 m-85 -99.7 110.11 22.53 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.457 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.45 104.39 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.52 136.87 56.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.721 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.3 p -118.35 150.46 39.48 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -48.2 -54.54 13.13 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -46.78 -42.01 16.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.843 0.354 . . . . 10.0 110.67 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.21 2.89 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.972 -0.632 . . . . 10.0 113.385 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -109.96 109.94 20.71 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.062 0.431 . . . . 10.0 111.465 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' B' ' 4' ' ' PHE . 41.4 m -74.26 93.5 2.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.097 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -87.52 110.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.724 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 72.4 p -79.8 154.64 28.32 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.65 143.53 25.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.68 123.63 26.91 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.585 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -155.03 157.61 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.76 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' B' ' 18' ' ' GLU . 1.6 pm0 -117.08 159.75 39.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.214 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.03 -27.3 84.63 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.556 2.171 . . . . 10.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -86.4 -3.82 59.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.45 145.78 45.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.11 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.483 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 26.0 p -90.37 163.8 14.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.72 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 27.1 mm -71.44 -34.94 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.03 -31.34 71.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.176 0.512 . . . . 10.0 109.624 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.483 ' H ' ' HG1' ' B' ' 22' ' ' THR . 89.0 m-20 -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -46.27 -32.53 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.448 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -72.82 -40.62 65.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.811 0.339 . . . . 10.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.8 -0.25 20.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.673 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -101.3 -20.75 15.09 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.1 -32.28 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.056 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.409 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 57.3 tt0 -76.61 -7.61 55.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.987 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.97 -13.66 16.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.327 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.4 -18.57 7.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.287 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -125.28 -20.61 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.95 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.99 64.23 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.081 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mt -93.27 121.1 66.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.607 0.203 . . . . 10.0 110.719 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.12 128.6 30.41 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.611 2.207 . . . . 10.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 50.9 Cg_exo -55.98 -37.62 95.86 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.779 2.319 . . . . 10.0 112.452 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.15 -5.41 13.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -126.61 20.32 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -115.06 104.94 12.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.914 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -95.34 111.9 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.2 mt -101.78 103.21 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 10.0 111.714 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.574 ' CG2' ' H ' ' B' ' 45' ' ' PHE . 4.0 mp -83.38 173.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.368 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.574 ' H ' ' CG2' ' B' ' 44' ' ' ILE . 73.8 t80 176.25 116.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.32 28.03 5.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.675 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.23 44.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.825 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' B' ' 48' ' ' LYS . 3.3 mmmp? -149.74 117.7 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.715 0.293 . . . . 10.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.6 142.55 33.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.109 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' B' ' 45' ' ' PHE . 2.4 mp -90.59 115.65 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.486 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.578 ' C ' ' H ' ' B' ' 53' ' ' GLY . 26.7 tt0 -75.01 127.79 34.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.424 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.452 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.6 m-20 -58.49 -5.81 0.59 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -102.44 14.34 56.64 Favored Glycine 0 N--CA 1.43 -1.724 0 CA-C-N 114.623 -1.171 . . . . 10.0 114.479 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -134.08 161.13 35.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.108 0.454 . . . . 10.0 111.066 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 64.5 p -100.27 167.23 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.284 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.07 -48.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 10.0 109.959 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.8 m -48.65 -31.83 7.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.564 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.75 -57.43 12.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.992 0.425 . . . . 10.0 110.113 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -86.57 17.01 4.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.1 t30 48.54 46.25 20.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.737 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.402 HG12 ' CZ ' ' B' ' 45' ' ' PHE . 33.1 mt -82.48 105.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -90.39 -175.55 4.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.42 157.65 35.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 61.19 25.47 15.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.623 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -87.16 141.99 28.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.614 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 59.6 p -102.44 106.69 17.48 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -99.12 131.05 45.44 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.377 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 50' ' ' PRO . 62.4 m170 -89.19 136.48 33.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 10.0 111.055 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -114.82 122.91 47.81 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.739 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.829 179.769 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.683 0.278 . . . . 10.0 110.28 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.54 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 8.6 m-85 -136.03 167.13 21.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.411 0.624 . . . . 10.0 111.609 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.71 117.5 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.574 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 7.7 p -99.92 107.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -177.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.4 tt0 -98.85 98.44 9.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.396 -0.922 . . . . 10.0 108.991 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CG ' ' CD2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 10.0 109.456 178.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.9 23.21 12.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.826 0.346 . . . . 10.0 110.91 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 15.7 t80 -53.2 130.49 34.7 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.12 128.81 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.32 119.46 5.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.934 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.37 4.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -153.29 172.85 16.38 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.49 -48.23 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -74.09 0.95 12.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.717 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 135.92 42.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.725 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.57 145.89 27.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.795 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -89.67 114.19 25.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CG1' ' HB3' ' A' ' 10' ' ' TYR . 10.3 pt -108.74 125.5 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.795 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -113.12 149.68 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.551 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.593 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 33.4 m -47.01 124.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -12.87 61.29 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.718 -0.674 . . . . 10.0 113.5 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.5 151.22 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 10.0 110.486 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.96 121.33 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.514 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.457 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 20.2 mt -101.5 119.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -76.08 144.64 40.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 10.0 112.008 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 46.6 61.14 2.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.471 -0.786 . . . . 10.0 113.094 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 4' ' ' TYR . 87.4 t -81.84 121.67 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.197 -0.298 . . . . 10.0 110.197 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -127.74 143.95 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.849 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -77.01 131.09 38.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' CB ' ' A' ' 39' ' ' GLU . 4.0 mm? -92.47 179.69 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.182 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -74.05 -13.87 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 4.0 mm-40 -93.98 129.58 40.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 128.13 34.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.157 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.32 12.38 83.19 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.863 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.4 m95 -120.39 124.48 45.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.351 . . . . 10.0 110.43 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 30.0 mt -126.88 151.12 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.571 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 14.6 tp10 -115.35 138.69 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.26 178.95 38.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.091 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -111.47 115.72 29.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.881 0.372 . . . . 10.0 110.357 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.3 tt -134.59 129.12 34.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.441 ' N ' HD23 ' A' ' 42' ' ' LEU . 64.5 t30 61.32 29.58 18.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.59 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.52 -15.2 42.32 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.707 -0.758 . . . . 10.0 113.414 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 4.8 tpm_? -110.7 130.06 55.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 10.0 110.527 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.543 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -89.3 131.04 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.948 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.44 167.6 33.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.411 -0.899 . . . . 10.0 113.246 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.571 ' SD ' ' HB2' ' A' ' 39' ' ' GLU . 24.4 mmt -85.3 146.92 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.292 . . . . 10.0 110.432 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 3.4 p90 -147.99 152.68 40.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.311 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.6 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 35.1 Cg_exo -59.78 137.8 78.96 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.774 2.316 . . . . 10.0 112.605 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.497 ' C ' ' H ' ' A' ' 53' ' ' PHE . 5.7 p-10 -68.31 -41.34 81.03 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.457 HD22 ' NZ ' ' B' ' 6' ' ' LYS . 63.9 m-20 -70.27 14.22 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.6 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 2.4 m-85 -118.65 -28.64 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.574 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.7 t -103.19 149.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.226 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -134.81 131.73 37.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.421 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -49.86 137.72 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.126 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.7 tt -78.02 130.72 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.387 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.339 -0.839 . . . . 10.0 110.665 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.544 0.211 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -115.13 158.02 22.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.444 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' B' ' 14' ' ' THR . 41.4 pt -141.93 143.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.79 113.25 26.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.824 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.9 t -94.03 142.03 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.839 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.457 ' NZ ' HD22 ' A' ' 52' ' ' ASN . 48.1 mttp -95.35 122.17 37.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.485 ' HG1' ' HZ1' ' B' ' 11' ' ' LYS . 62.2 m -103.54 129.89 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.73 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' B' ' 7' ' ' THR . 82.3 mt -34.79 -64.35 0.26 Allowed 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.893 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.2 m -37.78 -60.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.219 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.5 22.94 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.426 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.485 ' HZ1' ' HG1' ' B' ' 7' ' ' THR . 21.1 pttp -111.47 120.62 42.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -84.58 86.75 7.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.579 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mm -82.3 109.21 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.695 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 50.5 m -81.24 151.98 27.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.574 -0.898 . . . . 10.0 108.574 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.72 147.46 29.95 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.22 130.54 39.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.592 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 p -164.24 157.44 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.941 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -119.7 161.15 39.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.306 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.65 -24.44 75.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.572 2.181 . . . . 10.0 112.772 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -88.35 -10.35 49.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.684 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.33 147.44 51.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 111.183 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -90.74 165.75 13.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.473 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 36.2 mm -72.68 -38.55 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.955 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -56.3 -35.93 68.1 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.308 0.575 . . . . 10.0 109.527 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -68.71 -58.15 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.01 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -45.74 -33.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.542 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.24 -46.35 77.43 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.996 0.427 . . . . 10.0 110.02 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.85 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.989 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -49.65 -30.34 8.84 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.519 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -81.44 -36.03 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 10.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -77.74 -6.02 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.122 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.17 -6.87 17.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.2 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -125.69 -21.42 4.45 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.185 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -125.81 -13.99 6.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.092 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.08 34.15 80.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.26 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.2 mt -99.96 120.97 55.62 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.24 135.55 69.45 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.5 2.133 . . . . 10.0 112.395 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.58 -36.27 54.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.629 2.22 . . . . 10.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.24 -4.88 19.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.63 19.73 7.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.946 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.31 100.76 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.479 HH22 ' NE2' ' B' ' 49' ' ' GLN . 27.0 mmm180 -97.06 117.53 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.65 118.2 35.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.307 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 mm -121.67 128.81 75.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -134.51 135.03 42.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.906 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.18 23.73 12.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.902 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.99 35.33 35.18 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.765 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.402 ' NZ ' ' CD1' ' B' ' 59' ' ' TYR . 7.9 ptmm? -157.47 120.11 3.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 10.0 110.885 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.479 ' NE2' HH22 ' B' ' 42' ' ' ARG . 2.3 pt20 -54.54 141.37 31.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.264 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mp -91.13 119.29 31.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.57 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.663 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 0.5 OUTLIER -79.47 129.47 34.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.314 -178.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.473 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.8 m-20 -57.65 -7.67 0.72 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -99.63 11.31 61.17 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 114.755 -1.111 . . . . 10.0 114.332 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.514 ' HE ' ' CG ' ' B' ' 58' ' ' ASP . 27.1 mmm180 -134.54 162.18 33.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.162 0.481 . . . . 10.0 111.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.445 ' HG1' ' HG ' ' B' ' 57' ' ' SER . 46.8 p -100.12 168.51 9.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.595 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.62 -45.25 85.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.073 0.463 . . . . 10.0 110.134 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.445 ' HG ' ' HG1' ' B' ' 55' ' ' THR . 74.6 p -50.56 -31.68 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.433 -0.803 . . . . 10.0 111.864 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.514 ' CG ' ' HE ' ' B' ' 54' ' ' ARG . 39.0 t70 -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 110.504 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.663 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 21.7 m-85 -99.7 23.4 9.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.497 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.9 m120 41.93 36.92 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.24 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -78.46 105.59 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 10.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -92.12 -175.06 3.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.8 159.05 28.88 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.864 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 58.41 29.6 18.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.423 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -70.59 -159.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.969 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -160.04 88.17 0.81 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.09 0.471 . . . . 10.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.78 157.51 27.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.23 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -117.24 115.8 26.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.889 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 tt -101.37 113.54 26.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 10.0 111.013 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.801 179.611 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 110.267 -0.271 . . . . 10.0 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 5.6 m-85 -120.91 160.52 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.371 0.605 . . . . 10.0 112.234 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.426 HD11 HG23 ' A' ' 5' ' ' ILE . 3.5 pt -120.04 117.95 55.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 4.8 m -99.8 106.12 18.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 12.0 mm-40 -103.26 95.63 6.23 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 118.775 -1.17 . . . . 10.0 108.354 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.429 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -179.06 178.81 0.71 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.488 178.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 8.2 p-10 -117.25 103.77 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.436 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 73.0 t80 -128.54 121.26 28.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.392 . . . . 10.0 111.498 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -101.19 117.55 35.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.341 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 118.67 3.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 10.0 110.64 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 m -88.16 -10.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.049 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -148.18 172.44 14.31 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.544 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.82 -43.45 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.58 -9.48 58.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.25 138.63 31.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.727 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -101.85 134.58 44.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.379 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 t -86.19 114.62 23.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' A' ' 6' ' ' VAL . 29.2 pt -110.67 120.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -115.51 154.14 29.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.604 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.8 t -47.06 123.83 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.32 -17.36 57.48 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.787 -0.642 . . . . 10.0 114.023 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 122.2 20.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 10.0 111.386 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.5 mt -91.15 127.16 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.068 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' CD1' HD23 ' A' ' 42' ' ' LEU . 3.5 mm -96.44 124.28 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 28' ' ' ASN . 6.0 mmp_? -47.98 157.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.351 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 27' ' ' ARG . 19.7 p-10 -20.61 104.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.735 0.647 . . . . 10.0 111.714 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 3.0 m -89.43 150.08 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.735 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -127.87 127.93 44.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.395 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -59.37 130.8 48.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.525 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' A' ' 48' ' ' MET . 44.6 mt -91.37 172.41 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.671 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' NE2' ' N ' ' A' ' 33' ' ' GLN . 1.4 mp0 -74.16 -7.25 51.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -100.45 130.33 46.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.89 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 19.2 tt0 -63.66 125.36 24.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.428 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.65 8.87 82.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.011 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -123.06 124.92 44.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 10.0 110.809 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' MET . 9.1 mp -122.41 155.98 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.262 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tm-20 -115.97 138.63 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.66 174.64 40.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.018 -0.611 . . . . 10.0 111.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 6.0 mp0 -111.88 116.45 30.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 10.0 110.993 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 26' ' ' ILE . 54.8 tp -134.8 133.39 39.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.022 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m120 62.04 29.46 17.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.613 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.69 -5.23 65.64 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.691 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -113.76 130.14 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.879 0.339 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.7 129.74 36.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.17 174.05 36.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.181 -1.009 . . . . 10.0 113.443 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.568 ' SD ' HD12 ' A' ' 32' ' ' LEU . 5.9 mmt -92.41 146.88 23.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.65 -0.275 . . . . 10.0 110.362 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.425 ' CE2' HG22 ' A' ' 26' ' ' ILE . 10.8 p90 -148.1 148.29 29.1 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.431 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 47.4 Cg_exo -57.6 140.57 93.82 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.715 2.277 . . . . 10.0 112.251 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.34 -34.36 70.44 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.05 8.98 1.33 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 18.9 m-30 -122.37 -1.82 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.0 0.429 . . . . 10.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.1 m -127.17 146.68 32.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -128.56 125.2 37.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.284 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . 42.0 tt0 -61.19 125.31 23.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.041 0.385 . . . . 10.0 112.041 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.8 tp -123.32 109.49 23.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.452 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.76 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.519 0.2 . . . . 10.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -108.91 157.52 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.7 pt -144.68 139.9 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 10.0 111.637 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -81.88 159.7 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.442 ' HB ' HG13 ' B' ' 13' ' ' ILE . 55.4 t -150.62 94.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 10.0 111.106 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -54.92 124.65 17.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.542 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -107.14 130.32 54.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.441 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -38.87 -50.26 1.7 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.813 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -50.96 -60.44 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 10.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 157.51 7.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.666 -0.778 . . . . 10.0 113.039 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -86.97 157.86 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 10.0 111.537 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.3 m -96.64 -38.25 10.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.032 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.442 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.6 pt 38.61 87.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.0 m -96.9 113.57 25.12 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.195 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.434 ' H ' HD21 ' B' ' 15' ' ' LEU . 2.5 pt? -107.2 158.24 17.26 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.85 136.09 37.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.842 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 18' ' ' GLU . 7.9 p -165.2 160.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.09 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.407 ' N ' HG23 ' B' ' 17' ' ' VAL . 18.0 mt-10 -118.9 162.7 29.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.079 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -62.04 -27.58 79.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 10.0 112.3 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -85.8 -9.45 57.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.838 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -70.4 149.0 47.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.724 0.297 . . . . 10.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -92.16 166.63 12.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.088 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.3 mm -73.63 -34.28 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.25 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.64 -33.42 73.9 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -71.57 -55.66 7.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.033 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.429 ' O ' HG12 ' B' ' 30' ' ' ILE . 24.6 t -46.96 -33.15 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.26 -0.882 . . . . 10.0 111.33 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -73.54 -32.36 64.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.887 0.375 . . . . 10.0 110.717 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.02 -1.87 49.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.93 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -99.3 -20.71 16.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 ' O ' ' B' ' 26' ' ' VAL . 20.0 mm -87.21 -34.23 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.049 -0.978 . . . . 10.0 109.112 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -4.58 47.7 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.084 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.04 -10.91 15.78 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -125.76 -12.62 6.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.483 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -133.08 -16.42 2.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.739 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 36.32 87.0 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.527 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.0 tt -102.61 120.22 53.58 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.745 0.272 . . . . 10.0 110.514 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.41 132.8 46.27 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.568 2.179 . . . . 10.0 112.611 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -60.92 -36.8 81.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.635 2.224 . . . . 10.0 111.993 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.42 -14.58 61.24 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -104.4 -28.06 11.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.365 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.61 111.3 5.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.871 . . . . 10.0 112.985 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' B' ' 42' ' ' ARG . 26.6 ttm-85 -110.64 119.1 38.03 Favored 'General case' 0 C--N 1.334 -0.074 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.12 126.3 53.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.21 127.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.694 0.283 . . . . 10.0 110.517 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -132.91 133.92 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.05 22.38 11.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.547 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 82.13 21.98 59.93 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.491 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -141.03 119.18 12.01 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.948 0.404 . . . . 10.0 111.131 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.43 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 22.5 mp0 -57.56 130.97 48.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.537 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.403 HD12 ' N ' ' B' ' 50' ' ' LEU . 5.3 mp -80.07 123.84 28.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.917 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.605 ' C ' ' H ' ' B' ' 53' ' ' GLY . 7.2 mm-40 -82.71 130.52 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.969 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.4 p-10 -57.91 -5.39 0.42 Allowed 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.51 11.53 58.1 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 114.57 -1.196 . . . . 10.0 114.461 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.62 -171.81 2.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.156 0.478 . . . . 10.0 111.371 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.595 ' C ' ' H ' ' B' ' 57' ' ' SER . 25.2 p -129.93 160.18 34.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.768 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.11 12.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . 0.595 ' H ' ' C ' ' B' ' 55' ' ' THR . 81.3 p -108.31 -27.9 9.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.09 -36.84 82.86 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.15 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.572 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 85.8 m-85 -100.28 20.08 15.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.428 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 t30 43.1 41.19 2.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -81.31 104.89 10.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.781 0.324 . . . . 10.0 111.451 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -91.05 -177.14 4.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.197 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 53.0 tttm -66.77 159.79 27.22 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.67 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' B' ' 63' ' ' LYS . 41.9 mt-10 58.67 28.42 17.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.381 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -96.3 147.5 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.355 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -87.2 155.21 20.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.237 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 97.1 mt -148.41 113.01 5.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -77.09 124.22 27.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 tp -108.87 116.05 31.24 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.554 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-O 120.968 0.413 . . . . 10.0 111.891 -178.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.716 0.293 . . . . 10.0 110.37 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.47 ' CD2' ' HA ' ' A' ' 56' ' ' GLU . 6.0 m-85 -130.35 164.67 24.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 110.972 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.402 HD12 ' HA2' ' A' ' 23' ' ' GLY . 1.8 tp -119.52 116.39 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.521 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 8.4 t -99.64 105.46 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 44.1 tt0 -102.39 95.71 6.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 107.842 -1.169 . . . . 10.0 107.842 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.412 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -176.82 163.06 2.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.297 -1.319 . . . . 10.0 109.594 178.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -115.42 111.97 21.61 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.443 ' HB3' HG13 ' A' ' 20' ' ' ILE . 9.4 t80 -142.43 132.74 24.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.954 0.407 . . . . 10.0 111.18 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -103.54 121.8 43.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.363 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.554 ' H ' ' HG1' ' A' ' 19' ' ' THR . . . -54.0 119.07 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.089 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.41 HG21 ' ND1' ' A' ' 14' ' ' HIS . 33.1 m -100.03 -19.7 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.537 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 50.9 m80 -118.86 162.19 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.31 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.55 -35.3 78.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.426 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -85.9 7.41 24.26 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.892 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 11.0 mm-40 -105.2 136.17 45.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.054 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -100.23 146.71 26.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.446 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.554 ' HG1' ' H ' ' A' ' 12' ' ' ALA . 88.5 m -88.68 114.09 24.93 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.443 HG13 ' HB3' ' A' ' 10' ' ' TYR . 2.1 pp -111.6 132.06 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -120.81 149.62 42.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.175 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.0 m -48.12 123.86 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.402 ' HA2' HD12 ' A' ' 5' ' ' ILE . . . 97.31 -21.29 46.96 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.638 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.29 120.84 19.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.864 0.332 . . . . 10.0 111.46 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.53 ' H ' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -91.96 131.89 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.866 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.51 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 50.1 mt -98.67 126.95 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.572 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -77.7 144.45 37.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 10.0 111.862 -179.122 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.5 m120 53.19 50.97 16.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.208 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.51 ' CG2' ' HB ' ' A' ' 26' ' ' ILE . 65.8 t -78.74 115.26 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.46 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -129.54 140.57 51.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -75.45 127.02 32.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 39' ' ' GLU . 3.7 mm? -86.44 -178.42 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' NE2' ' H ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -81.25 0.1 38.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.142 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.18 132.17 46.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 24.2 tt0 -68.16 121.76 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.66 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.89 10.61 80.7 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.944 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 124.64 42.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 10.0 110.786 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 48' ' ' MET . 19.7 mt -127.09 151.81 48.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CB ' HD23 ' A' ' 32' ' ' LEU . 39.0 tt0 -115.31 142.64 46.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 10.0 110.718 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -167.97 -177.79 39.47 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.772 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.15 116.31 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.967 0.413 . . . . 10.0 110.646 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.66 130.9 40.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.847 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 59.71 29.34 18.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.671 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.1 -19.44 22.1 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.3 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -98.42 130.38 45.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.388 . . . . 10.0 111.439 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -91.7 122.63 34.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.395 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.72 166.79 32.98 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.984 . . . . 10.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 11.3 tpp -83.91 147.58 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.609 -0.295 . . . . 10.0 110.359 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 2.7 p90 -146.5 155.28 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.83 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.578 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 24.6 Cg_exo -62.66 137.31 63.13 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.487 2.124 . . . . 10.0 112.228 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 53' ' ' PHE . 7.2 p-10 -67.41 -38.11 84.12 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' ND2' ' HZ3' ' B' ' 6' ' ' LYS . 75.1 m-20 -73.13 13.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 3.3 m-85 -117.54 -25.74 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.978 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.521 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 3.2 m -102.03 150.36 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.7 123.69 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.976 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 11.3 pt-20 -44.72 137.15 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 10.0 111.709 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 tp -76.12 129.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.484 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -0.816 . . . . 10.0 110.638 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.604 0.24 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.73 156.91 19.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.3 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 pt -120.02 -160.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.3 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -159.16 94.04 1.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.102 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.54 136.38 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.528 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.42 ' HZ3' ' ND2' ' A' ' 52' ' ' ASN . 53.1 mtmt -97.06 120.97 38.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.036 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.8 p -103.7 131.47 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.65 0.262 . . . . 10.0 110.91 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -38.12 -52.5 1.43 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -44.23 -58.16 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.244 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.549 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.71 25.33 0.1 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.782 -0.723 . . . . 10.0 113.104 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.51 132.89 56.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.3 p -94.64 82.47 3.96 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 13' ' ' ILE . 16.7 pt -80.06 106.71 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-O 121.489 0.661 . . . . 10.0 111.219 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -79.55 158.63 27.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 107.686 -1.227 . . . . 10.0 107.686 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.9 tp -152.75 146.89 25.46 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.188 0.449 . . . . 10.0 112.01 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -75.2 134.49 41.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.282 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.2 p -166.33 163.32 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.937 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -126.2 159.36 62.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.239 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.32 -26.85 72.63 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.368 2.045 . . . . 10.0 112.66 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -86.31 -15.28 41.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.898 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 143.52 57.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.878 0.37 . . . . 10.0 111.536 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -86.51 163.94 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' B' ' 50' ' ' LEU . 44.8 mt -72.92 -32.74 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.509 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.6 -30.67 71.75 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.289 0.566 . . . . 10.0 109.514 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.94 -56.95 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.188 -0.914 . . . . 10.0 108.72 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 71.6 t -45.91 -33.85 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.07 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -66.79 -45.52 78.16 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -56.11 -51.86 66.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.324 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -51.6 -31.85 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.91 . . . . 10.0 112.244 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -75.83 -40.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 3.6 pt20 -77.58 -0.86 28.03 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.692 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -108.77 -5.09 16.44 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -133.01 -10.32 3.0 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.076 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -135.18 -18.47 1.77 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.49 32.44 64.74 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.528 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.21 116.62 64.31 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.886 0.343 . . . . 10.0 110.773 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.16 132.92 45.47 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.81 2.34 . . . . 10.0 112.811 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' B' ' 40' ' ' GLN . 31.9 Cg_exo -59.26 -38.97 82.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.807 2.338 . . . . 10.0 112.328 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.35 2.83 3.4 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.162 0.506 . . . . 10.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' B' ' 38' ' ' PRO . 8.0 tt0 -134.61 19.78 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.284 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -118.94 100.62 7.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.893 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 14' ' ' HIS . 20.9 mmt180 -96.34 122.88 39.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.734 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.4 ' H ' HE21 ' B' ' 49' ' ' GLN . 92.5 mt -112.64 121.95 46.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.158 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mt -122.68 128.55 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.314 . . . . 10.0 110.649 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -134.22 131.19 38.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.74 9.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.991 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.15 31.29 31.95 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.569 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.72 115.18 4.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 10.0 110.725 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.4 HE21 ' H ' ' B' ' 43' ' ' LEU . 12.9 tm0? -53.75 135.59 41.16 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.589 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' B' ' 23' ' ' ILE . 86.7 mt -84.59 119.18 24.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.544 ' C ' ' N ' ' B' ' 53' ' ' GLY . 0.1 OUTLIER -77.11 123.29 26.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.192 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.09 -19.63 0.08 Allowed 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.864 0.84 . . . . 10.0 108.766 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.544 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -65.97 -74.1 0.55 Allowed Glycine 0 N--CA 1.422 -2.278 0 CA-C-N 113.854 -1.521 . . . . 10.0 112.818 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -58.29 168.89 0.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.2 t -105.04 176.19 5.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 113.863 -1.517 . . . . 10.0 109.979 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.24 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 10.0 110.397 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -50.73 -32.64 20.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.703 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.28 -52.01 67.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.096 0.474 . . . . 10.0 109.972 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.465 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 96.9 m-85 -89.56 25.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.935 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 39.6 35.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.881 -0.599 . . . . 10.0 112.226 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -74.67 108.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -94.14 -177.68 4.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -69.05 157.08 37.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.126 0.489 . . . . 10.0 111.859 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.49 26.2 15.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.305 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 t -95.54 148.97 21.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.2 t -87.49 153.81 21.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.663 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -145.46 110.37 5.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.911 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' CG2' ' B' ' 70' ' ' VAL . 12.9 t-160 -74.09 118.22 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -103.15 112.91 25.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.398 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.433 ' CG2' ' CE1' ' B' ' 68' ' ' HIS . 58.7 t . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.596 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.829 0.347 . . . . 10.0 110.622 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.481 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 5.0 m-85 -130.37 165.7 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 tp -120.75 117.13 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.32 -1.363 . . . . 10.0 107.32 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.427 HG11 ' HB ' ' A' ' 20' ' ' ILE . 15.4 t -102.69 105.29 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 N-CA-C 112.806 0.669 . . . . 10.0 112.806 -176.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 42.3 mt-10 -102.66 95.62 6.33 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.434 -1.321 . . . . 10.0 107.434 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -177.33 168.99 2.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.334 -1.303 . . . . 10.0 109.492 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.434 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 9.5 m-20 -117.57 110.54 18.06 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.407 ' HB3' HG12 ' A' ' 20' ' ' ILE . 33.3 t80 -140.81 133.16 28.3 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.03 0.443 . . . . 10.0 111.453 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.02 125.74 51.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.14 119.58 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.23 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 t -85.96 -16.62 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.009 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -139.68 172.66 12.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.326 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 17' ' ' GLU . 16.8 t70 -70.37 -44.1 68.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.929 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.5 -1.67 3.84 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.794 0.33 . . . . 10.0 110.499 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 15' ' ' ASP . 57.0 mt-10 -106.37 136.19 46.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.07 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HA ' HH21 ' A' ' 45' ' ' ARG . 0.5 OUTLIER -98.61 143.92 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.522 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -89.73 114.64 26.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.427 ' HB ' HG11 ' A' ' 6' ' ' VAL . 2.1 pt -114.18 129.54 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.636 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -117.55 154.31 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.35 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 52.8 t -48.54 123.59 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.234 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.03 -17.81 58.61 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.032 -0.604 . . . . 10.0 113.529 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 118.75 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 10.0 111.234 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 pt -91.92 133.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.295 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.48 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 34.9 mt -99.6 127.21 52.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.597 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -71.99 145.7 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.713 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 40.77 63.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.539 -0.755 . . . . 10.0 113.034 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 4' ' ' TYR . 54.1 t -83.79 124.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 10.0 110.484 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -131.33 140.8 49.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.637 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HZ3' ' HH ' ' A' ' 4' ' ' TYR . 2.4 mppt? -67.45 133.2 49.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.989 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 34.0 tp -89.54 170.5 10.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.369 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 12.8 mm100 -74.16 -1.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.403 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.0 135.53 48.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.727 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.594 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 18.5 tt0 -65.55 120.18 12.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.22 13.35 68.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.424 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -122.74 125.22 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 10.0 110.804 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -130.62 150.85 51.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.79 140.42 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.792 0.329 . . . . 10.0 110.656 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -165.83 -179.47 39.44 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.683 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.87 116.28 27.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 10.0 110.648 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.16 134.66 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 61.65 29.26 18.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.99 16.55 80.6 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.019 -0.61 . . . . 10.0 113.658 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.423 HH21 ' HA ' ' A' ' 18' ' ' LEU . 51.5 ttp85 -138.55 133.66 32.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.722 0.296 . . . . 10.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 16.9 ptm180 -87.96 123.83 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 161.37 29.28 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.762 -0.732 . . . . 10.0 112.833 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -85.43 146.86 26.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 10.0 110.319 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' HG12 ' A' ' 54' ' ' VAL . 1.4 p90 -141.9 157.38 64.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.411 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.546 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 15.5 Cg_exo -67.96 136.37 37.97 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.641 2.227 . . . . 10.0 111.925 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 53' ' ' PHE . 24.6 t70 -65.13 -35.96 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -73.66 15.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 4.6 m-85 -123.9 -28.74 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.159 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 49' ' ' PHE . 4.4 m -102.69 147.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.812 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -132.4 127.27 35.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.293 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -44.18 139.59 2.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.372 . . . . 10.0 111.641 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 tp -73.83 128.08 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.46 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.793 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.481 0.182 . . . . 10.0 111.069 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -110.32 156.03 21.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.83 0.348 . . . . 10.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' B' ' 14' ' ' THR . 2.1 pp -140.16 145.0 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.474 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -102.88 114.96 29.67 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.14 141.83 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.479 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.38 119.3 36.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.435 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -100.19 130.86 46.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.862 0.363 . . . . 10.0 111.528 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.571 ' H ' HD12 ' B' ' 8' ' ' LEU . 2.3 mp -40.53 -47.96 2.76 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 10.0 112.153 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 m -53.87 -53.42 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 10.0 110.771 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.594 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 144.04 22.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.111 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -112.59 129.01 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 10.0 111.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -95.73 89.28 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.507 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 mm -86.84 109.58 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.314 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 1.9 t -96.09 111.95 23.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.417 ' N ' HD13 ' B' ' 15' ' ' LEU . 5.0 mp -103.16 160.0 15.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -78.12 138.84 38.93 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.4 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -166.16 159.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 10.0 111.427 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' B' ' 19' ' ' PRO . 35.9 mt-10 -119.92 158.33 50.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.18 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' B' ' 18' ' ' GLU . 18.1 Cg_endo -59.62 -26.82 83.31 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.421 2.08 . . . . 10.0 112.334 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -86.86 -9.59 55.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.614 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.44 146.88 52.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 10.0 111.208 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.1 p -89.61 166.05 13.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.142 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.473 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 26.1 mm -74.98 -34.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.866 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.11 -35.74 75.91 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.81 -60.09 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.286 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.4 HG12 ' O ' ' B' ' 23' ' ' ILE . 0.3 OUTLIER -44.98 -29.49 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.073 178.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.68 -44.8 76.92 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.14 50.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -47.58 -30.9 3.95 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.3 mm -76.64 -39.9 32.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.889 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -79.42 -1.58 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -108.92 -11.24 15.02 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.114 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -130.31 -2.98 4.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.141 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -138.03 -21.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.51 27.97 66.54 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 121.151 -0.547 . . . . 10.0 113.483 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.4 120.3 59.69 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.797 0.298 . . . . 10.0 110.758 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.24 139.72 62.89 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.626 2.218 . . . . 10.0 112.225 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.95 -37.11 27.83 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.484 2.122 . . . . 10.0 111.926 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -67.35 -12.24 59.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.815 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.32 19.69 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.099 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.63 97.11 5.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.351 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -94.33 119.44 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.618 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.0 116.38 29.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.335 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.432 ' CG1' ' HB3' ' B' ' 68' ' ' HIS . 26.9 pt -119.5 130.45 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -134.92 133.87 40.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 16.32 8.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 89.75 11.9 63.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.96 -0.638 . . . . 10.0 112.934 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -131.25 121.13 24.24 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.758 0.313 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -60.74 126.62 28.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -75.74 124.21 26.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' B' ' 53' ' ' GLY . 8.6 tp10 -82.98 131.72 35.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.776 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.473 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.8 m-20 -60.68 -2.28 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.524 0.678 . . . . 10.0 109.453 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -103.1 10.2 54.99 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 114.736 -1.12 . . . . 10.0 113.705 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -134.14 159.53 40.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 10.0 111.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 66.0 p -97.69 169.65 9.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.42 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.01 -44.55 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 10.0 109.952 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -48.62 -35.01 12.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.823 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.85 -48.94 79.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.053 0.454 . . . . 10.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.509 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 97.0 m-85 -92.65 23.67 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.888 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 p30 40.55 40.49 0.91 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.008 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -79.79 105.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.464 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -90.36 -178.04 5.25 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.921 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 158.46 33.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.126 0.489 . . . . 10.0 111.895 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 61.06 28.03 17.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.1 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 82.6 p -97.65 147.16 24.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.507 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -84.09 155.69 22.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -149.53 102.59 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.432 ' HB3' ' CG1' ' B' ' 44' ' ' ILE . 7.9 t-80 -69.52 124.59 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -108.22 118.83 37.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.217 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.415 HG13 ' HD1' ' B' ' 68' ' ' HIS . 12.9 m . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.366 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.912 0.387 . . . . 10.0 110.772 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 7.0 m-85 -128.27 166.68 18.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 10.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.426 HD12 HG21 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -127.56 117.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 177.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 19.9 t -98.24 107.4 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 N-CA-C 113.234 0.828 . . . . 10.0 113.234 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.0 mt-10 -100.78 94.82 6.26 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -178.08 172.89 1.55 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.33 -1.305 . . . . 10.0 109.427 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.03 110.66 15.62 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.405 ' HB3' HG12 ' A' ' 20' ' ' ILE . 73.6 t80 -140.29 131.87 27.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.945 0.402 . . . . 10.0 111.034 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.03 125.27 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 119.6 6.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -92.33 -18.19 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.231 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' H ' ' A' ' 15' ' ' ASP . 43.2 t-80 -137.6 175.84 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.885 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.533 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 t70 -65.65 -44.77 85.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.517 ' H ' ' HD1' ' A' ' 14' ' ' HIS . 2.0 m-20 -73.8 -1.12 18.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.07 135.92 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.272 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.24 138.69 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.186 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -85.57 113.19 21.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.444 ' HB ' HG13 ' A' ' 6' ' ' VAL . 7.0 pt -114.95 128.23 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -121.48 156.69 32.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.47 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.522 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 15.7 m -47.95 124.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 10.0 112.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.92 -21.18 40.97 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.01 -0.614 . . . . 10.0 113.686 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.26 114.87 8.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.959 0.38 . . . . 10.0 111.045 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 pt -87.96 134.13 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.1 mt -101.54 123.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.476 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -74.87 146.66 41.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.165 0.507 . . . . 10.0 111.772 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.542 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 43.69 62.12 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.437 -0.802 . . . . 10.0 113.044 178.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 4' ' ' TYR . 73.5 t -82.86 123.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 10.0 110.465 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -128.39 133.99 48.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HZ1' ' HH ' ' A' ' 4' ' ' TYR . 2.3 mppt? -68.43 128.77 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.606 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.51 176.79 7.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.797 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -6.68 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.405 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -96.88 131.21 43.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.409 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.451 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 20.1 tt0 -65.46 122.2 16.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.47 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.42 8.72 80.52 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.758 -0.656 . . . . 10.0 113.508 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.491 ' CD1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -124.47 124.88 43.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 10.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 48' ' ' MET . 8.5 mp -125.44 155.25 40.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.353 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp20? -115.82 146.32 42.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.759 0.314 . . . . 10.0 110.363 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.97 -178.29 41.43 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.061 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.34 115.96 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 10.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 tt -128.96 127.1 41.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.539 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.4 t30 61.88 32.59 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.462 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.1 -20.11 8.94 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.118 -0.563 . . . . 10.0 113.551 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -100.29 130.29 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 10.0 110.904 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 46' ' ' ARG . 10.3 mtp180 -90.89 131.67 36.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.32 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.55 168.13 34.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.898 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.491 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 35.0 mtt -85.72 146.87 26.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -147.44 157.19 45.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.386 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 21.4 Cg_exo -65.23 137.85 53.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.65 2.233 . . . . 10.0 112.271 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 53' ' ' PHE . 11.9 p-10 -66.37 -41.65 89.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.723 0.638 . . . . 10.0 112.723 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.402 HD21 ' NE2' ' B' ' 68' ' ' HIS . 70.4 m-20 -71.11 16.58 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 3.4 m-85 -119.94 -27.53 5.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.949 0.404 . . . . 10.0 110.072 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 3.4 m -102.61 148.13 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.492 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -127.81 120.45 27.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.74 138.85 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.117 0.484 . . . . 10.0 112.105 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.9 mm -102.26 129.68 53.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.117 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.133 -0.937 . . . . 10.0 110.954 -179.599 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.495 0.188 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -107.67 156.69 18.79 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.632 0.253 . . . . 10.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.08 144.97 28.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.408 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.93 112.55 25.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 10.0 111.762 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.36 141.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.272 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -98.63 123.66 42.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -102.39 129.49 48.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.354 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.5 mt -42.16 -38.07 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.434 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -59.73 -54.09 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.809 0.338 . . . . 10.0 110.462 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.76 23.5 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.985 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.02 137.93 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.439 . . . . 10.0 111.993 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -103.69 89.59 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.506 -0.77 . . . . 10.0 108.933 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 pt -81.01 116.87 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.611 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 44.0 p -90.26 124.71 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.145 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.34 147.52 46.95 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.91 130.61 37.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.752 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -160.37 157.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.228 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -119.31 159.61 44.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.468 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.01 -25.73 80.46 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.56 2.173 . . . . 10.0 112.35 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -88.18 -11.1 47.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.438 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.17 145.51 55.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.233 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.3 p -91.24 160.65 15.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.209 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.4 mm -67.91 -39.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.155 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.93 -33.16 66.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.99 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.89 -56.31 5.95 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.41 ' HA ' ' NZ ' ' B' ' 29' ' ' LYS . 93.7 t -45.17 -34.21 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.0 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.77 -46.94 80.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.914 0.388 . . . . 10.0 110.08 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.53 57.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.334 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' B' ' 26' ' ' VAL . 37.4 mtmm -49.58 -30.49 8.75 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.514 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -78.79 -38.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' B' ' 31' ' ' GLN . 0.9 OUTLIER -77.41 -4.41 45.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.509 179.235 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -107.75 -10.78 15.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.103 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -124.5 -15.42 6.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.342 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -129.79 -14.39 4.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.418 -0.356 . . . . 10.0 111.106 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 35.25 88.47 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.25 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.74 118.07 59.27 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.693 0.247 . . . . 10.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 9.8 Cg_endo -54.34 133.74 57.57 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.625 2.217 . . . . 10.0 112.723 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -59.51 -37.9 86.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.965 2.444 . . . . 10.0 112.77 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.86 -11.84 57.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.982 0.42 . . . . 10.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -118.92 21.05 12.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.438 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 22.4 mt-30 -116.12 102.53 9.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.248 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.402 ' NE ' HG12 ' B' ' 70' ' ' VAL . 57.0 mtp180 -98.03 117.98 33.59 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.5 119.18 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.162 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.03 129.2 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 10.0 110.631 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -136.26 133.3 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 19.67 9.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.678 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.5 30.83 32.09 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.614 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -150.21 118.12 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.022 0.439 . . . . 10.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.475 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 23.1 mp0 -56.35 132.74 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.67 125.99 30.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.335 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 34.9 tt0 -85.08 129.55 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.132 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.62 -26.57 13.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.527 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.505 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -90.73 13.78 64.85 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.136 -0.554 . . . . 10.0 113.62 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -125.22 154.41 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.684 0.278 . . . . 10.0 110.794 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.6 p -99.08 169.16 9.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.715 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.1 -44.56 87.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.47 . . . . 10.0 110.059 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -50.16 -32.8 17.11 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.619 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.055 0.455 . . . . 10.0 110.4 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -95.87 23.2 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.754 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 42.47 36.19 0.75 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.181 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -76.74 106.3 6.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 10.0 111.403 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -92.87 -179.41 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.781 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.68 157.72 33.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.113 0.483 . . . . 10.0 111.867 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.86 26.1 14.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.265 -0.88 . . . . 10.0 111.187 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -71.94 -161.35 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 32.6 p -157.49 90.47 1.1 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.846 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.23 154.44 23.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.816 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.402 ' NE2' HD21 ' A' ' 52' ' ' ASN . 54.6 m80 -113.89 118.48 34.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.553 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 tt -101.51 114.47 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.402 HG12 ' NE ' ' B' ' 42' ' ' ARG . 12.7 p . . . . . 0 C--N 1.332 -0.186 0 CA-C-O 120.966 0.412 . . . . 10.0 111.703 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.603 0.239 . . . . 10.0 111.265 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.13 117.33 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.309 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 5.0 m-30 -103.25 167.62 9.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.503 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.4 121.69 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.266 -0.879 . . . . 10.0 108.935 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.542 ' CG2' ' HB ' ' A' ' 20' ' ' ILE . 30.0 m -97.43 107.02 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.541 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 3.5 mp0 -97.23 96.43 8.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 118.555 -1.258 . . . . 10.0 108.61 176.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -178.14 -171.45 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.296 -1.32 . . . . 10.0 108.339 178.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -133.34 34.05 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.084 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -58.89 135.11 57.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -112.71 130.92 55.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.621 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.505 ' H ' ' HG1' ' A' ' 19' ' ' THR . . . -54.08 119.33 4.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -90.43 -24.8 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.143 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.471 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 29.4 m80 -127.35 175.62 8.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.718 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.18 -39.97 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 48' ' ' MET . 5.3 p-10 -78.8 -1.2 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HG2' ' HB2' ' A' ' 14' ' ' HIS . 50.4 mm-40 -91.48 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.39 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 140.32 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.505 ' HG1' ' H ' ' A' ' 12' ' ' ALA . 96.2 m -86.72 113.48 22.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.584 -0.446 . . . . 10.0 109.812 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.542 ' HB ' ' CG2' ' A' ' 6' ' ' VAL . 22.1 pt -113.19 123.64 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.959 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -122.88 161.35 24.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.686 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.541 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 20.1 t -47.64 124.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.456 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.01 -20.31 37.07 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.738 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.1 115.12 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.072 0.436 . . . . 10.0 111.041 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.6 pt -90.44 129.09 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.457 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.522 ' CG2' ' HA3' ' A' ' 40' ' ' GLY . 1.4 mp -96.07 123.37 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.332 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -70.91 144.89 50.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.351 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 35.71 70.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.2 t -82.2 130.21 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.016 178.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -130.27 132.67 46.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.808 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.38 126.95 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.44 178.62 6.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.964 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.449 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 7.1 mp0 -93.89 128.37 40.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.602 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 17.7 tt0 -57.59 118.22 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.114 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.89 -32.63 5.72 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.869 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 15.5 m95 -73.1 124.28 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 10.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 48' ' ' MET . 32.5 mt -126.4 149.59 49.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -116.15 138.45 51.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 10.0 110.255 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.522 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -164.47 178.24 39.8 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.095 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' CD ' ' N ' ' A' ' 41' ' ' GLU . 4.3 mp0 -108.88 115.51 30.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.988 0.423 . . . . 10.0 110.744 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.6 tt -133.1 128.2 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.757 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' N ' HD23 ' A' ' 42' ' ' LEU . 12.9 t-20 61.78 32.0 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.426 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.38 4.86 75.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.001 -0.619 . . . . 10.0 113.354 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -117.46 129.5 55.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 10.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.485 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -91.69 120.44 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.715 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.85 167.55 33.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.657 -0.783 . . . . 10.0 112.811 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.494 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 20.1 ptp -93.68 151.93 19.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 p90 -152.5 150.59 25.32 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.24 145.15 78.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.596 2.197 . . . . 10.0 112.545 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -78.26 -22.32 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.648 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.498 HD22 ' CD ' ' B' ' 6' ' ' LYS . 8.1 m-80 -76.25 4.89 7.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.522 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.09 -6.69 8.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.383 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.509 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 14.2 p -116.7 144.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.325 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -130.35 108.55 10.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.699 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 4' ' ' TYR . 29.5 tt0 -54.54 122.5 10.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 10.0 111.732 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.1 tt -121.64 101.38 10.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.698 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.453 ' SD ' ' HD3' ' B' ' 19' ' ' PRO . 23.2 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.698 0.285 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -108.89 155.31 20.97 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -143.02 141.81 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.861 0.362 . . . . 10.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.45 158.94 21.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.377 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -145.0 119.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.498 ' CD ' HD22 ' A' ' 52' ' ' ASN . 45.8 tttt -83.24 117.5 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.68 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -99.75 127.17 45.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -40.07 -40.62 1.1 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.423 ' HG1' ' H ' ' B' ' 10' ' ' GLY . 66.9 p -58.97 -54.52 46.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 10.0 110.718 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.602 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.66 24.69 0.11 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.917 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -113.86 133.01 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.014 0.435 . . . . 10.0 111.784 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -98.89 84.3 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.672 -0.695 . . . . 10.0 109.453 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 pt -79.15 110.57 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.376 0.608 . . . . 10.0 110.873 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 54.1 m -95.47 109.08 21.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.551 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.52 155.24 19.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.469 0.915 . . . . 10.0 113.469 -178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.481 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -76.14 138.1 40.51 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.09 -0.959 . . . . 10.0 110.578 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -165.3 159.3 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.895 0.378 . . . . 10.0 111.563 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' B' ' 18' ' ' GLU . 8.6 mp0 -117.67 158.24 45.9 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.279 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.453 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 27.7 Cg_endo -62.7 -20.72 71.78 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.355 2.036 . . . . 10.0 112.165 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.0 p -92.38 -11.53 34.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.303 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.48 147.72 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.028 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 23.7 p -91.97 162.32 14.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.008 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 31.3 mm -69.56 -34.95 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.8 -32.56 71.9 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.158 0.504 . . . . 10.0 109.71 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -71.67 -56.89 4.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.851 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -45.84 -33.55 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.051 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.15 -42.85 88.49 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.903 0.383 . . . . 10.0 110.258 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -52.1 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.092 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -49.57 -32.27 12.29 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.091 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.416 HG21 HD11 ' B' ' 30' ' ' ILE . 38.7 mt -77.92 -37.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.203 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.492 HE21 ' C ' ' B' ' 36' ' ' ILE . 3.8 tp-100 -76.05 -6.28 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.312 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.67 -9.68 15.79 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.426 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -124.55 -15.3 6.63 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.667 -0.242 . . . . 10.0 111.604 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.14 -10.4 2.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.979 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.12 40.82 99.63 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.083 -0.58 . . . . 10.0 113.504 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.492 ' C ' HE21 ' B' ' 31' ' ' GLN . 45.8 mm -106.87 111.96 63.56 Favored Pre-proline 0 C--O 1.233 0.198 0 CA-C-N 116.749 0.274 . . . . 10.0 110.761 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -46.81 132.94 17.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.929 2.419 . . . . 10.0 113.03 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.8 -38.67 78.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.866 2.377 . . . . 10.0 112.684 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.58 -13.14 61.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.122 0.487 . . . . 10.0 110.752 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -117.61 21.69 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.009 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -118.24 101.87 8.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.214 -179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.595 HH22 HE21 ' B' ' 49' ' ' GLN . 14.1 mmm180 -97.6 120.18 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.896 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -112.05 119.71 39.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.389 -0.368 . . . . 10.0 110.107 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.2 128.58 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 10.0 110.722 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -134.99 131.7 37.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.907 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.0 20.34 12.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.275 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.69 28.76 34.3 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.101 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -154.94 125.76 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 10.0 110.751 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.595 HE21 HH22 ' B' ' 42' ' ' ARG . 3.6 pt20 -56.17 140.96 42.58 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -89.58 121.52 31.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.657 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.596 ' C ' ' H ' ' B' ' 53' ' ' GLY . 36.1 mt-10 -80.25 126.77 31.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.369 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.9 p-10 -57.35 -6.62 0.45 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.596 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -100.0 11.48 60.55 Favored Glycine 0 N--CA 1.433 -1.516 0 CA-C-N 114.669 -1.151 . . . . 10.0 114.315 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -135.33 162.5 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 117.149 0.474 . . . . 10.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.9 p -99.14 168.89 9.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.7 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.71 -44.58 86.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -49.97 -32.45 15.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.575 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.62 -46.88 88.6 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.051 0.453 . . . . 10.0 110.27 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.06 22.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.569 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 41.75 36.45 0.61 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.044 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -77.91 107.59 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 10.0 111.238 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -93.27 -175.65 3.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -68.09 156.22 37.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 64.31 25.86 13.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.475 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 m -70.91 -161.41 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.951 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -159.12 90.9 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 10.0 110.737 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.5 156.58 23.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.683 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -116.38 116.14 27.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.196 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.1 tp -98.58 113.13 25.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.749 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 20.7 m -116.87 172.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.195 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.4 tp -116.94 148.48 41.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.785 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 39.2 ttp180 -57.6 107.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.483 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.77 91.24 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.199 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.503 ' HE ' ' H ' ' B' ' 75' ' ' GLY . 7.1 tpm_? -90.05 120.22 31.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.19 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . 0.503 ' H ' ' HE ' ' B' ' 74' ' ' ARG . . . -95.58 -17.74 35.16 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.453 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.347 -1.252 . . . . 10.0 112.672 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.917 0.389 . . . . 10.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -152.13 152.29 32.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.304 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 56' ' ' GLU . 7.6 m-85 -132.87 166.14 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 10.0 111.3 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.5 mt -120.11 116.95 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 107.461 -1.311 . . . . 10.0 107.461 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 15.3 m -96.6 106.59 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -176.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.497 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 43.1 tt0 -97.22 97.18 8.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -175.67 171.01 2.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.516 -1.22 . . . . 10.0 109.097 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.9 28.86 8.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.918 0.389 . . . . 10.0 110.489 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.21 141.09 58.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.795 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.71 141.49 51.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.171 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -53.72 118.98 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -91.98 -28.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.255 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 15' ' ' ASP . 5.8 t-160 -129.28 -179.87 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.419 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 5.1 p-10 -67.06 -44.45 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.991 0.424 . . . . 10.0 110.861 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -1.46 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.29 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HB2' ' H ' ' A' ' 14' ' ' HIS . 11.8 mm-40 -94.78 139.58 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 10.0 110.509 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.4 tp -106.13 139.88 39.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.897 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.412 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 4.5 t -86.99 113.94 23.17 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.542 ' HB ' ' CG2' ' A' ' 6' ' ' VAL . 19.6 pt -113.07 125.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.433 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -116.09 152.29 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.39 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.497 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 18.6 m -47.25 124.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -19.13 52.49 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.797 -0.638 . . . . 10.0 113.587 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -68.38 119.05 12.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 10.0 111.046 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 24.1 pt -91.06 128.76 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.488 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 31.7 mt -99.19 128.96 50.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.429 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -79.74 145.36 32.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.153 0.502 . . . . 10.0 111.663 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 48.75 56.98 6.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.866 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG2' ' HB ' ' A' ' 26' ' ' ILE . 74.1 t -81.57 123.67 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.299 . . . . 10.0 110.392 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -132.23 150.21 52.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.79 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -72.71 130.71 41.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' A' ' 33' ' ' GLN . 15.3 tp -89.62 167.24 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.371 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.424 ' H ' ' HG ' ' A' ' 32' ' ' LEU . 24.7 tp60 -68.1 -15.7 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 10.0 110.394 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.77 130.9 38.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.629 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' CG ' ' HA2' ' B' ' 10' ' ' GLY . 0.7 OUTLIER -64.59 123.28 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.972 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 86.26 12.04 71.23 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.713 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' CD1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -127.36 126.41 42.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.996 0.427 . . . . 10.0 110.995 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -125.37 157.26 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -116.39 138.18 51.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 10.0 110.374 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.7 176.57 40.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.326 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.59 116.08 30.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 10.0 110.489 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.5 tp -135.72 133.02 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.633 179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 61.44 31.65 19.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.425 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 19.99 79.07 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.133 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 45' ' ' ARG . 33.1 mtm-85 -136.93 129.79 30.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.31 . . . . 10.0 110.662 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -89.17 123.28 33.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.114 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.96 167.15 33.2 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.957 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.463 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 57.6 mtt -88.5 147.39 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.662 0.268 . . . . 10.0 110.319 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -147.01 148.3 32.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 10.0 111.513 -178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 51.2 Cg_exo -56.83 136.54 77.02 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.976 2.451 . . . . 10.0 112.704 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.441 ' C ' ' H ' ' A' ' 53' ' ' PHE . 5.8 p-10 -66.02 -41.09 91.41 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -68.24 4.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 9.1 m-30 -113.36 -15.22 12.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 10.0 109.977 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.55 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 3.6 m -111.58 146.91 15.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.362 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.3 124.69 27.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.432 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 9.2 tp10 -43.83 137.6 3.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.016 0.436 . . . . 10.0 111.976 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.3 tt -75.22 130.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.559 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.106 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.54 0.21 . . . . 10.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -111.03 156.95 20.52 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 10.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 pt -139.19 141.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.605 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.34 113.15 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.649 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -94.78 141.4 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.16 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.491 ' HZ3' ' CE1' ' B' ' 68' ' ' HIS . 7.5 mtpm? -100.84 126.46 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.477 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -95.22 170.23 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.282 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 pp -88.54 -7.38 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 10.0 111.148 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 80.0 m -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.262 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.534 ' HA2' ' CG ' ' A' ' 35' ' ' GLU . . . 143.7 15.54 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.273 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -108.33 136.38 48.06 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.9 p -102.79 91.64 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.532 -0.914 . . . . 10.0 108.532 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 pt -85.29 112.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.161 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 28.2 m -81.85 141.65 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.14 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -135.01 144.86 47.59 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.208 0.448 . . . . 10.0 112.208 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -81.87 122.47 27.77 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.159 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -155.77 161.68 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.199 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.92 161.26 39.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.428 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.55 -27.81 85.89 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.56 2.173 . . . . 10.0 112.43 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -86.34 -7.03 58.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.585 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.71 146.84 49.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 10.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -91.07 161.35 15.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.151 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.491 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -69.92 -34.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.377 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.66 -32.22 72.37 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.074 0.464 . . . . 10.0 109.772 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.85 -56.54 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.522 -0.763 . . . . 10.0 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -45.52 -30.88 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.902 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -71.73 -39.55 70.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.04 29.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.423 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -98.88 -22.22 15.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.915 -1.142 . . . . 10.0 107.915 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.412 HG23 HD12 ' B' ' 30' ' ' ILE . 43.6 mt -86.93 -32.94 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.734 -1.121 . . . . 10.0 109.765 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.407 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 8.7 tt0 -80.29 -4.28 52.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.124 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -107.51 -12.82 15.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.998 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -117.49 -30.33 5.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -119.06 -12.82 9.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.823 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.03 34.07 80.68 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.797 -0.716 . . . . 10.0 113.402 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.45 119.75 59.47 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.762 0.281 . . . . 10.0 110.679 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.26 133.49 52.93 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.754 2.303 . . . . 10.0 112.743 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.407 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 34.2 Cg_exo -60.31 -38.39 75.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.813 2.342 . . . . 10.0 112.118 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.56 -21.1 66.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -112.34 19.67 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.612 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.474 ' HG2' ' CD1' ' B' ' 43' ' ' LEU . 8.6 tt0 -115.58 99.38 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.436 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' B' ' 72' ' ' ARG . 52.3 mtm180 -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.375 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.474 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 9.6 mp -111.42 120.6 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.357 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.479 HG21 HD12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -125.29 127.8 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -135.34 135.19 40.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.642 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 16.94 10.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.87 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.98 5.5 67.99 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.202 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -128.47 128.04 43.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.956 0.408 . . . . 10.0 111.519 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.457 ' NE2' ' N ' ' B' ' 43' ' ' LEU . 45.0 tp60 -63.48 130.71 45.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.328 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -76.86 127.0 31.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.486 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' B' ' 53' ' ' GLY . 36.8 mt-10 -85.54 131.29 34.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.71 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.491 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.4 p-10 -59.08 -10.33 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.079 0.466 . . . . 10.0 110.359 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -100.19 11.92 60.28 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.513 -0.767 . . . . 10.0 113.557 -179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -117.92 -172.48 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 10.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.548 ' C ' ' H ' ' B' ' 57' ' ' SER . 52.5 p -132.17 159.03 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.817 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.4 8.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.548 ' H ' ' C ' ' B' ' 55' ' ' THR . 47.1 t -103.54 -28.23 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.42 -41.28 93.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.976 -1.011 . . . . 10.0 110.21 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -96.58 20.89 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.546 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.74 40.93 2.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mm -80.63 103.76 8.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -90.17 -177.39 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.01 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.0 159.38 28.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.721 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 59.74 26.67 15.82 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.576 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -91.61 146.73 23.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.8 t -104.82 111.52 24.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.85 149.8 20.86 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.775 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.491 ' CE1' ' HZ3' ' B' ' 6' ' ' LYS . 1.1 t60 -106.82 125.58 51.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 10.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tt -105.83 115.8 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.062 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 29.0 m -121.39 165.27 17.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.461 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 132.29 40.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.69 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' B' ' 42' ' ' ARG . 32.2 ptt180 -53.12 -45.5 68.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.2 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.84 -66.76 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 55.76 91.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 110.52 2.84 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.591 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.453 -1.193 . . . . 10.0 112.549 -179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.702 0.287 . . . . 10.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.46 137.57 33.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 14.4 m-30 -113.67 167.61 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 39.7 mt -117.35 118.08 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.497 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 21.3 t -98.75 105.81 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 54.1 tp10 -102.8 95.35 6.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.042 -1.063 . . . . 10.0 108.369 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -178.72 177.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.507 -1.224 . . . . 10.0 109.496 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.38 106.48 14.05 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.4 ' CE2' ' HG2' ' A' ' 50' ' ' PRO . 64.9 t80 -141.41 133.94 28.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.994 0.426 . . . . 10.0 111.667 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -118.74 135.29 54.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.711 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.538 ' H ' HG21 ' A' ' 19' ' ' THR . . . -58.53 123.27 15.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.225 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.36 -27.95 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -122.01 172.92 7.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.42 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.33 -38.37 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -80.16 3.24 21.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.104 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -97.65 146.64 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.4 tp -106.52 138.93 41.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.758 -178.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.538 HG21 ' H ' ' A' ' 12' ' ' ALA . 30.3 p -86.53 113.9 22.82 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.458 ' HB ' HG13 ' A' ' 6' ' ' VAL . 15.3 pt -115.28 126.53 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 10.0 111.189 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 35.5 ttp180 -119.87 159.7 24.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.631 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.561 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 6.0 m -46.31 124.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.271 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 -19.02 35.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.069 -0.586 . . . . 10.0 113.525 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -68.63 114.35 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 10.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.4 pt -89.1 133.96 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.691 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 ' CE1' ' A' ' 49' ' ' PHE . 3.5 mm -99.72 122.62 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.089 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.53 147.41 39.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 10.0 111.727 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.5 m120 42.32 62.04 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.534 -0.757 . . . . 10.0 112.697 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 3.1 t -84.67 127.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.011 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 140.66 46.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -59.45 133.37 56.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.123 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 36.3 tp -94.95 167.67 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.181 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 1.7 mp0 -72.0 -7.46 48.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -97.32 127.42 43.26 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.152 0.501 . . . . 10.0 110.586 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.6 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 29.4 tt0 -59.54 120.11 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.428 -0.806 . . . . 10.0 112.16 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' HA3' ' CE ' ' B' ' 6' ' ' LYS . . . 82.97 17.91 66.4 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -128.98 125.89 38.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.285 0.564 . . . . 10.0 111.18 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 48' ' ' MET . 7.3 mt -116.38 151.49 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.33 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 14.5 tp10 -115.48 138.1 51.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.3 -178.45 38.47 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.47 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.17 115.94 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 10.0 111.17 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD22 ' CD1' ' A' ' 26' ' ' ILE . 29.9 tp -132.32 129.52 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.035 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.476 HD21 HH21 ' A' ' 45' ' ' ARG . 41.7 m-20 60.94 29.53 19.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.277 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.95 78.32 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.887 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.476 HH21 HD21 ' A' ' 43' ' ' ASN . 38.0 mtm105 -129.27 129.92 45.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 10.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -90.58 113.7 25.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.52 162.89 29.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.173 -1.013 . . . . 10.0 113.393 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 48' ' ' MET . 1.8 mpt? -90.18 150.06 22.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.616 -0.292 . . . . 10.0 110.423 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.431 ' CE1' HG23 ' A' ' 26' ' ' ILE . 12.9 p90 -152.13 153.23 30.91 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.949 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.443 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 52.9 Cg_exo -54.82 138.4 76.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.654 2.236 . . . . 10.0 112.391 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.411 ' HA ' HG13 ' A' ' 54' ' ' VAL . 17.1 m-20 -79.29 -14.38 59.05 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.482 HD22 ' HE2' ' B' ' 68' ' ' HIS . 27.7 p-10 -84.47 7.6 19.23 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 21.3 m-85 -121.29 -17.76 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.396 . . . . 10.0 110.312 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 4.4 p -102.88 144.24 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.72 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -130.81 117.05 18.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 1.1 mp0 -44.24 138.93 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.591 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.454 HG23 HD13 ' A' ' 57' ' ' ILE . 0.1 OUTLIER -74.57 127.26 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.123 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' N ' HD12 ' A' ' 57' ' ' ILE . 2.2 tpmt? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.921 . . . . 10.0 110.694 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.503 0.192 . . . . 10.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -110.27 157.72 19.16 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.685 0.278 . . . . 10.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' B' ' 14' ' ' THR . 33.9 pt -140.96 144.16 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.32 112.63 25.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.896 0.379 . . . . 10.0 111.866 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.76 144.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.486 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.427 ' HZ2' ' CE1' ' B' ' 68' ' ' HIS . 54.8 mtpt -98.72 123.56 43.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.516 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.2 m -103.48 130.22 50.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -37.78 -52.72 1.29 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.49 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -47.53 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.6 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 152.16 26.38 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.526 -0.845 . . . . 10.0 113.348 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -116.51 124.87 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 112.127 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -87.37 87.81 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.171 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.401 ' O ' HG13 ' B' ' 13' ' ' ILE . 13.2 pt -81.78 106.8 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.498 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.403 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.7 t -80.73 152.34 28.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -148.1 147.53 29.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.016 0.436 . . . . 10.0 112.151 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.88 133.15 40.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.299 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.8 p -164.31 160.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.18 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -122.25 159.15 53.43 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.493 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.01 -23.73 70.01 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.683 2.255 . . . . 10.0 112.899 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 m -91.16 -9.37 45.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.585 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.95 146.98 52.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 10.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -91.31 165.15 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.171 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.472 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 32.5 mm -72.53 -34.65 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.251 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.78 -32.05 71.39 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -72.49 -58.67 3.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.915 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.21 -32.29 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.112 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -66.02 -46.78 76.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.958 0.409 . . . . 10.0 109.983 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.439 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -58.33 -52.54 65.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.958 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -49.33 -30.05 6.98 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 34.4 mt -79.22 -38.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.4 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 16.9 pt20 -80.31 -0.99 39.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.874 0.369 . . . . 10.0 110.381 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -105.57 -11.12 16.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.994 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -123.4 -27.62 4.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.972 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -118.04 -13.23 10.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.613 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.3 90.04 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.809 -0.71 . . . . 10.0 113.235 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -101.52 117.15 62.53 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.562 0.181 . . . . 10.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.17 139.27 35.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.568 2.179 . . . . 10.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.71 -37.12 22.18 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.619 2.213 . . . . 10.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.92 -11.56 60.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.671 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -118.14 19.64 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.137 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.409 ' HG2' ' CD1' ' B' ' 43' ' ' LEU . 7.3 tt0 -118.04 103.56 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.207 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -100.87 121.23 41.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.852 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.409 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 8.4 mp -111.0 116.12 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.485 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -117.29 127.41 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD12 ' B' ' 50' ' ' LEU . 86.2 t80 -132.99 132.44 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.74 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 29.47 17.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.574 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.52 32.0 62.46 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -148.33 115.4 6.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.722 0.296 . . . . 10.0 110.698 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -57.0 131.15 48.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.112 0.482 . . . . 10.0 111.528 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' B' ' 45' ' ' PHE . 3.1 mp -80.58 122.43 27.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.272 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.606 ' C ' ' H ' ' B' ' 53' ' ' GLY . 8.4 mm-40 -81.12 129.38 34.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.808 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.472 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.1 p30 -58.34 -5.28 0.48 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.606 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.39 11.51 58.27 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 114.585 -1.189 . . . . 10.0 114.364 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -134.35 160.74 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.246 0.523 . . . . 10.0 111.457 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 4.9 t -98.15 166.92 11.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.541 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mp -55.7 -46.22 77.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 10.0 109.917 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -49.44 -32.2 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.615 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.05 -47.41 85.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.076 0.465 . . . . 10.0 110.09 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -94.03 23.59 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.631 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.05 37.51 0.57 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.15 106.25 8.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.472 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.75 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.89 155.06 41.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.051 0.453 . . . . 10.0 111.555 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 68.81 23.87 6.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p -91.69 147.8 22.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -106.48 109.78 21.79 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 113.533 0.938 . . . . 10.0 113.533 -179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -89.73 157.77 17.83 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.087 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.482 ' HE2' HD22 ' A' ' 52' ' ' ASN . 40.5 m-70 -113.9 119.66 38.03 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.732 0.301 . . . . 10.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.07 115.21 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.362 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 p -128.05 101.99 7.95 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-O 121.149 0.5 . . . . 10.0 111.809 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.85 -64.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.891 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -142.93 -0.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.325 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 63.41 92.85 0.06 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.31 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -77.9 155.72 30.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.046 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.21 6.82 33.63 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.262 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -1.232 . . . . 10.0 112.183 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.048 0.451 . . . . 10.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -151.54 126.19 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.576 ' CD1' HG22 ' A' ' 29' ' ' VAL . 15.8 m-30 -109.27 167.64 9.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.458 . . . . 10.0 111.117 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.8 tt -121.91 118.75 56.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.152 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -94.84 107.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -177.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.504 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 17.4 mm-40 -97.37 97.38 9.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 119.175 -1.01 . . . . 10.0 109.121 177.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -178.03 -177.87 0.64 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.214 178.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -124.07 29.2 6.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.868 0.366 . . . . 10.0 110.869 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' HB3' HG13 ' A' ' 20' ' ' ILE . 14.4 t80 -59.6 137.29 58.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -118.32 135.15 54.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.389 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.52 119.61 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 t -90.04 -17.66 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.946 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.422 ' HB2' HH12 ' B' ' 42' ' ' ARG . 9.3 t-80 -132.78 170.95 14.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.291 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.17 -39.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.146 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.32 1.04 19.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.356 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -103.12 136.17 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 19' ' ' THR . 3.3 tm? -93.57 144.12 25.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.455 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.528 ' H ' HD22 ' A' ' 18' ' ' LEU . 54.4 m -89.21 114.64 25.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.453 ' HB ' HG22 ' A' ' 6' ' ' VAL . 28.6 pt -109.47 123.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 10.0 111.461 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -119.07 154.74 32.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.819 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' A' ' 8' ' ' TYR . 10.7 m -49.23 123.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.999 0.428 . . . . 10.0 112.057 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.81 -19.51 54.33 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.621 -0.718 . . . . 10.0 113.4 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -68.24 140.34 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 10.0 110.674 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.0 pt -111.25 127.62 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.785 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.442 HD11 ' N ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -94.08 114.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.354 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.45 HH22 ' H ' ' A' ' 44' ' ' GLY . 40.0 mtm180 -69.48 145.99 52.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.427 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 t30 39.31 69.18 0.3 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.677 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 4' ' ' TYR . 27.2 m -76.19 128.53 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.295 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -131.66 119.48 21.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.507 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -62.12 131.07 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.186 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.1 tp -88.25 166.37 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.465 -179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -72.15 -3.19 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -102.31 133.32 47.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.64 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 22.6 tt0 -67.08 121.41 15.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.805 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 90.55 8.58 65.67 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.873 -0.68 . . . . 10.0 112.405 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.405 ' CZ2' HG11 ' B' ' 70' ' ' VAL . 10.7 m95 -119.27 125.12 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 10.0 110.604 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -129.15 147.7 51.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.834 -1.173 . . . . 10.0 107.834 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' H ' HD23 ' A' ' 38' ' ' LEU . 1.8 tm-20 -115.36 138.68 50.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 10.0 110.708 -178.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.42 173.13 41.14 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.266 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 5.0 mp0 -108.91 115.71 30.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 10.0 109.965 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.89 136.42 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.218 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 61.81 29.39 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.751 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.45 ' H ' HH22 ' A' ' 27' ' ' ARG . . . 74.28 15.29 80.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.802 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -139.62 131.49 27.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.867 0.365 . . . . 10.0 110.614 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -87.32 131.73 34.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.38 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.42 166.56 35.36 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.491 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.3 mpp? -89.53 147.99 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 10.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -146.88 150.4 39.03 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.934 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 50.7 Cg_exo -54.81 129.82 37.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.694 2.262 . . . . 10.0 112.543 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.46 -20.81 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.888 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.576 HD21 ' N ' ' A' ' 52' ' ' ASN . 0.1 OUTLIER -82.66 4.24 25.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.647 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 22.5 m-30 -118.48 -5.26 10.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 10.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.519 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 7.6 p -110.55 142.52 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.889 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -127.25 113.75 16.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.565 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 26.7 tt0 -53.29 136.59 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 10.0 112.152 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.4 mt -85.23 129.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.966 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.335 -0.841 . . . . 10.0 110.811 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.532 0.206 . . . . 10.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.32 157.79 21.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 10.0 110.317 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.46 ' O ' ' HA ' ' B' ' 14' ' ' THR . 36.6 pt -140.87 145.53 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.414 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.421 ' O ' ' HA ' ' B' ' 66' ' ' THR . 52.9 m-85 -105.09 112.6 25.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 10.0 111.612 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -95.09 139.64 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.702 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -94.19 123.17 37.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.3 m -101.84 127.34 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.943 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -38.98 -44.42 1.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.095 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -55.66 -57.38 12.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.687 0.279 . . . . 10.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.564 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 151.07 18.59 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.402 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -109.09 135.16 50.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.113 0.483 . . . . 10.0 112.106 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.2 p -100.09 84.91 2.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.218 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 19.9 pt -79.06 113.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 10.0 111.73 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.2 t -92.11 125.16 36.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.175 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -120.23 148.19 43.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -75.49 132.76 40.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.175 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.0 p -162.56 158.35 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 10.0 111.307 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -117.85 159.67 41.7 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.406 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.14 -22.52 74.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.584 2.189 . . . . 10.0 112.505 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -91.19 -9.51 45.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.566 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.24 149.19 48.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 10.0 111.028 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.512 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 35.2 p -93.29 161.86 14.23 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.219 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.431 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.0 mm -68.05 -36.32 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.038 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -58.49 -37.13 74.9 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.656 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.512 ' H ' ' HG1' ' B' ' 22' ' ' THR . 83.6 m-20 -68.49 -56.33 8.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.08 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -46.55 -33.12 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.131 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -66.31 -44.05 84.52 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.92 0.39 . . . . 10.0 110.348 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.68 68.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.884 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -49.08 -32.75 10.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.332 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.1 mt -76.15 -40.27 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.994 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -76.41 -5.15 46.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.366 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -102.5 -16.16 16.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.383 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -126.37 -6.02 6.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -133.29 -17.46 2.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.986 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.04 35.74 89.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.952 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.436 ' HB ' HE21 ' B' ' 41' ' ' GLN . 43.2 mm -104.01 122.41 44.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.97 136.89 77.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.44 2.093 . . . . 10.0 112.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.89 -35.26 56.73 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.718 2.279 . . . . 10.0 112.137 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.0 -15.16 63.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.356 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -115.13 22.1 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.493 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.436 HE21 ' HB ' ' B' ' 36' ' ' ILE . 38.1 mt-30 -115.68 103.25 10.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.548 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.422 HH12 ' HB2' ' A' ' 14' ' ' HIS . 64.1 mtm180 -100.24 115.71 30.53 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.5 mp -108.21 114.64 28.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.401 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 10.0 111.147 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -133.99 131.45 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.421 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . . . 62.55 20.7 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.916 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' B' ' 48' ' ' LYS . . . 85.15 17.45 62.78 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.183 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' B' ' 47' ' ' GLY . 2.3 mptp? -140.25 124.29 17.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.402 . . . . 10.0 111.42 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -55.52 141.01 38.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.721 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.62 121.56 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.06 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' B' ' 53' ' ' GLY . 37.9 mt-10 -79.75 122.9 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.453 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.431 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.2 p-10 -45.82 -24.52 0.39 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.523 0.678 . . . . 10.0 109.407 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -68.8 -70.15 1.22 Allowed Glycine 0 N--CA 1.434 -1.496 0 CA-C-N 114.585 -1.189 . . . . 10.0 112.488 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -53.65 165.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 41.8 p -106.94 171.79 7.17 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 114.285 -1.325 . . . . 10.0 109.843 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.88 -48.77 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 110.494 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.6 p -48.7 -30.92 6.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.817 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.09 -41.85 98.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.946 0.403 . . . . 10.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -101.02 25.84 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.511 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p30 41.29 36.92 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.106 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.98 103.62 4.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.838 0.351 . . . . 10.0 111.302 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -92.42 -178.76 5.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -63.28 158.26 20.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.706 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 61.54 26.27 16.03 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.401 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.4 p -89.81 143.99 26.34 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.447 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 35.7 m -105.99 108.7 20.35 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.7 mt -88.62 162.25 16.44 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.132 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -117.47 118.79 33.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.509 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -101.2 114.23 28.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.869 0.366 . . . . 10.0 110.692 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.405 HG11 ' CZ2' ' A' ' 37' ' ' TRP . 5.7 t -107.76 151.33 9.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -93.78 -82.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.011 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -168.81 -63.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.669 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 24.9 tp -167.3 129.3 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.759 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -163.13 152.06 14.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.936 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.38 -67.57 1.77 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.328 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.372 -1.238 . . . . 10.0 112.559 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 121.015 0.436 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.44 132.4 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.005 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.481 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 2.8 m-30 -108.1 160.09 16.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.11 117.02 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 107.969 -1.122 . . . . 10.0 107.969 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -102.86 110.62 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.072 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 45.7 mt-10 -99.42 95.97 7.38 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.379 -1.341 . . . . 10.0 107.379 175.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 34.9 t80 -176.54 167.72 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.511 -1.222 . . . . 10.0 109.261 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 t70 -108.9 106.52 16.54 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -136.79 125.87 24.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 10.0 110.863 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -110.99 132.68 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -56.7 119.51 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.3 -15.9 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.773 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.413 ' HB3' ' HG2' ' A' ' 17' ' ' GLU . 35.8 t60 -131.99 169.87 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.005 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.48 -45.01 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 10.0 110.764 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.09 -1.32 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG2' ' HB3' ' A' ' 14' ' ' HIS . 75.3 mm-40 -97.21 142.62 28.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 10.0 110.54 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.6 tp -106.2 141.4 37.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.352 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.481 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 5.0 t -90.47 115.58 27.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 10.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.454 HD12 HG22 ' A' ' 20' ' ' ILE . 7.0 pt -122.34 131.66 72.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.127 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 mpt_? -117.94 160.83 20.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.536 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.565 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.3 t -49.12 123.94 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.193 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -18.17 55.43 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.85 -0.614 . . . . 10.0 113.403 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' HG3' ' H ' ' A' ' 21' ' ' ARG . 19.2 mm-40 -60.77 145.69 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 10.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.7 tt -116.73 120.59 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.904 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.462 HG21 ' CE2' ' A' ' 49' ' ' PHE . 13.5 mt -94.09 124.28 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.373 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -78.18 149.79 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 10.0 111.736 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 42.99 59.87 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.997 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 4' ' ' TYR . 86.2 t -80.99 122.25 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 10.0 110.41 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -125.0 127.18 46.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.5 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -65.68 122.26 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.09 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -84.33 178.08 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.234 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.63 -16.44 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.723 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -83.77 126.26 32.74 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.144 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.04 124.38 22.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.904 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.98 8.0 84.69 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.407 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -129.52 125.22 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 10.0 111.137 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 4.3 mt -122.74 162.03 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.315 -0.857 . . . . 10.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -116.04 139.33 50.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.08 177.77 40.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.485 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -111.08 116.44 31.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 10.0 110.781 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -133.28 129.1 37.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.861 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.4 t30 61.95 31.93 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.951 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.01 19.08 79.8 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.334 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -136.28 129.96 32.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 10.0 110.717 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -88.67 123.88 33.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.212 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.25 165.9 32.97 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.901 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 48' ' ' MET . 2.0 mpt? -85.65 148.16 26.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.464 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 4.2 p90 -147.68 156.08 44.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.955 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' CB ' ' CE1' ' B' ' 68' ' ' HIS . 41.5 Cg_endo -66.7 141.66 60.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 10.0 112.394 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -73.59 -34.08 64.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.294 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -70.29 0.5 6.3 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CE2' ' A' ' 8' ' ' TYR . 12.4 m-30 -110.23 -24.32 10.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 10.0 109.961 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.468 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 25.4 m -103.17 149.39 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.372 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.28 106.49 8.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.406 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' HA ' ' CG ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.48 122.83 7.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.9 tp -122.43 101.09 9.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.388 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.014 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.468 0.175 . . . . 10.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -115.15 158.97 21.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.658 0.266 . . . . 10.0 110.322 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' B' ' 14' ' ' THR . 42.9 pt -140.02 144.72 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.844 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.436 ' HB3' ' CG2' ' B' ' 12' ' ' THR . 30.0 m-85 -99.7 110.11 22.53 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.457 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.45 104.39 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.52 136.87 56.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.721 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.3 p -118.35 150.46 39.48 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -48.2 -54.54 13.13 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -46.78 -42.01 16.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.843 0.354 . . . . 10.0 110.67 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.21 2.89 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.972 -0.632 . . . . 10.0 113.385 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -109.96 109.94 20.71 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.062 0.431 . . . . 10.0 111.465 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.436 ' CG2' ' HB3' ' B' ' 4' ' ' PHE . 41.4 m -74.26 93.5 2.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.097 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -87.52 110.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.724 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 72.4 p -79.8 154.64 28.32 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.8 tp -149.65 143.53 25.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -178.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.68 123.63 26.91 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.585 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -155.03 157.61 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.76 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' B' ' 18' ' ' GLU . 1.6 pm0 -117.08 159.75 39.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.214 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.03 -27.3 84.63 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.556 2.171 . . . . 10.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -86.4 -3.82 59.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.45 145.78 45.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.11 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.483 ' HG1' ' H ' ' B' ' 25' ' ' ASN . 26.0 p -90.37 163.8 14.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.72 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.452 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 27.1 mm -71.44 -34.94 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.03 -31.34 71.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.176 0.512 . . . . 10.0 109.624 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.483 ' H ' ' HG1' ' B' ' 22' ' ' THR . 89.0 m-20 -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -46.27 -32.53 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.448 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.465 ' HZ2' HH22 ' B' ' 72' ' ' ARG . 55.7 mttt -72.82 -40.62 65.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.811 0.339 . . . . 10.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.8 -0.25 20.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.673 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -101.3 -20.75 15.09 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.1 -32.28 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.056 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.409 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 57.3 tt0 -76.61 -7.61 55.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.987 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.97 -13.66 16.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.327 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.4 -18.57 7.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.287 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -125.28 -20.61 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.95 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.99 64.23 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.081 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mt -93.27 121.1 66.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.607 0.203 . . . . 10.0 110.719 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.12 128.6 30.41 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.611 2.207 . . . . 10.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 50.9 Cg_exo -55.98 -37.62 95.86 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.779 2.319 . . . . 10.0 112.452 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.15 -5.41 13.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -126.61 20.32 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -115.06 104.94 12.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.914 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -95.34 111.9 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.2 mt -101.78 103.21 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 10.0 111.714 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.574 ' CG2' ' H ' ' B' ' 45' ' ' PHE . 4.0 mp -83.38 173.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.368 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.574 ' H ' ' CG2' ' B' ' 44' ' ' ILE . 73.8 t80 176.25 116.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.32 28.03 5.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.675 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.23 44.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.825 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' B' ' 48' ' ' LYS . 3.3 mmmp? -149.74 117.7 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.715 0.293 . . . . 10.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.6 142.55 33.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.109 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' B' ' 45' ' ' PHE . 2.4 mp -90.59 115.65 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.486 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.578 ' C ' ' H ' ' B' ' 53' ' ' GLY . 26.7 tt0 -75.01 127.79 34.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.424 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.452 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.6 m-20 -58.49 -5.81 0.59 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -102.44 14.34 56.64 Favored Glycine 0 N--CA 1.43 -1.724 0 CA-C-N 114.623 -1.171 . . . . 10.0 114.479 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -134.08 161.13 35.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.108 0.454 . . . . 10.0 111.066 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 64.5 p -100.27 167.23 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.284 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.07 -48.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 10.0 109.959 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.8 m -48.65 -31.83 7.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.564 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.75 -57.43 12.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.992 0.425 . . . . 10.0 110.113 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -86.57 17.01 4.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.1 t30 48.54 46.25 20.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.737 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.402 HG12 ' CZ ' ' B' ' 45' ' ' PHE . 33.1 mt -82.48 105.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -90.39 -175.55 4.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.42 157.65 35.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 61.19 25.47 15.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.623 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -87.16 141.99 28.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.614 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 59.6 p -102.44 106.69 17.48 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.9 mp -99.12 131.05 45.44 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.377 179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 50' ' ' PRO . 62.4 m170 -89.19 136.48 33.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 10.0 111.055 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -114.82 122.91 47.81 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.739 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.31 147.62 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.829 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.53 167.22 17.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.257 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.465 HH22 ' HZ2' ' B' ' 27' ' ' LYS . 64.8 mtt180 -120.38 72.79 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.29 -170.82 3.36 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.715 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 62.0 -83.75 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.0 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -159.05 10.0 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.112 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.393 -1.226 . . . . 10.0 112.387 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.67 0.271 . . . . 10.0 111.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -84.68 152.1 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.28 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.54 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 8.6 m-85 -136.03 167.13 21.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.411 0.624 . . . . 10.0 111.609 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.71 117.5 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.574 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 7.7 p -99.92 107.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -177.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.4 tt0 -98.85 98.44 9.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.396 -0.922 . . . . 10.0 108.991 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CG ' ' CD2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 10.0 109.456 178.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.9 23.21 12.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.826 0.346 . . . . 10.0 110.91 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 15.7 t80 -53.2 130.49 34.7 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.12 128.81 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.32 119.46 5.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.934 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.37 4.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -153.29 172.85 16.38 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.49 -48.23 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -74.09 0.95 12.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.717 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 135.92 42.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.725 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.57 145.89 27.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.795 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -89.67 114.19 25.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.535 ' CG1' ' HB3' ' A' ' 10' ' ' TYR . 10.3 pt -108.74 125.5 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.795 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -113.12 149.68 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.551 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.593 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 33.4 m -47.01 124.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -12.87 61.29 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.718 -0.674 . . . . 10.0 113.5 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -60.5 151.22 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 10.0 110.486 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.96 121.33 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.514 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.457 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 20.2 mt -101.5 119.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -76.08 144.64 40.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 10.0 112.008 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 46.6 61.14 2.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.471 -0.786 . . . . 10.0 113.094 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.54 ' HB ' ' CD1' ' A' ' 4' ' ' TYR . 87.4 t -81.84 121.67 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.197 -0.298 . . . . 10.0 110.197 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -127.74 143.95 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.849 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -77.01 131.09 38.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 HD23 ' CB ' ' A' ' 39' ' ' GLU . 4.0 mm? -92.47 179.69 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.182 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -74.05 -13.87 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.437 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 4.0 mm-40 -93.98 129.58 40.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 128.13 34.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.157 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.32 12.38 83.19 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.863 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.4 m95 -120.39 124.48 45.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.351 . . . . 10.0 110.43 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.516 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 30.0 mt -126.88 151.12 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.571 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 14.6 tp10 -115.35 138.69 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.26 178.95 38.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.091 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -111.47 115.72 29.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.881 0.372 . . . . 10.0 110.357 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.3 tt -134.59 129.12 34.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.441 ' N ' HD23 ' A' ' 42' ' ' LEU . 64.5 t30 61.32 29.58 18.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.59 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.52 -15.2 42.32 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.707 -0.758 . . . . 10.0 113.414 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.462 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 4.8 tpm_? -110.7 130.06 55.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 10.0 110.527 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.543 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -89.3 131.04 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.948 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.44 167.6 33.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.411 -0.899 . . . . 10.0 113.246 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.571 ' SD ' ' HB2' ' A' ' 39' ' ' GLU . 24.4 mmt -85.3 146.92 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.292 . . . . 10.0 110.432 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 3.4 p90 -147.99 152.68 40.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.311 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.6 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 35.1 Cg_exo -59.78 137.8 78.96 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.774 2.316 . . . . 10.0 112.605 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.497 ' C ' ' H ' ' A' ' 53' ' ' PHE . 5.7 p-10 -68.31 -41.34 81.03 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.457 HD22 ' NZ ' ' B' ' 6' ' ' LYS . 63.9 m-20 -70.27 14.22 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.6 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 2.4 m-85 -118.65 -28.64 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.574 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.7 t -103.19 149.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.226 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -134.81 131.73 37.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.421 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.519 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -49.86 137.72 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.126 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.7 tt -78.02 130.72 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.387 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.339 -0.839 . . . . 10.0 110.665 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.544 0.211 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -115.13 158.02 22.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.444 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' B' ' 14' ' ' THR . 41.4 pt -141.93 143.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.79 113.25 26.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.824 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.9 t -94.03 142.03 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.839 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.457 ' NZ ' HD22 ' A' ' 52' ' ' ASN . 48.1 mttp -95.35 122.17 37.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.485 ' HG1' ' HZ1' ' B' ' 11' ' ' LYS . 62.2 m -103.54 129.89 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.73 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' B' ' 7' ' ' THR . 82.3 mt -34.79 -64.35 0.26 Allowed 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.893 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.2 m -37.78 -60.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.219 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.5 22.94 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.426 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.485 ' HZ1' ' HG1' ' B' ' 7' ' ' THR . 21.1 pttp -111.47 120.62 42.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -84.58 86.75 7.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.579 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mm -82.3 109.21 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.695 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 50.5 m -81.24 151.98 27.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.574 -0.898 . . . . 10.0 108.574 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.2 pp -147.72 147.46 29.95 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.22 130.54 39.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.592 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 14.1 p -164.24 157.44 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.941 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -119.7 161.15 39.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.306 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.65 -24.44 75.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.572 2.181 . . . . 10.0 112.772 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -88.35 -10.35 49.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.684 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.33 147.44 51.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 111.183 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -90.74 165.75 13.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.473 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 36.2 mm -72.68 -38.55 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.955 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -56.3 -35.93 68.1 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.308 0.575 . . . . 10.0 109.527 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -68.71 -58.15 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.01 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -45.74 -33.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.542 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.24 -46.35 77.43 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.996 0.427 . . . . 10.0 110.02 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.85 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.989 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -49.65 -30.34 8.84 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.519 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -81.44 -36.03 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 10.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -77.74 -6.02 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.122 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.17 -6.87 17.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.2 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -125.69 -21.42 4.45 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.185 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -125.81 -13.99 6.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.092 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.08 34.15 80.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.26 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.2 mt -99.96 120.97 55.62 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.24 135.55 69.45 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.5 2.133 . . . . 10.0 112.395 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.58 -36.27 54.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.629 2.22 . . . . 10.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.24 -4.88 19.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.63 19.73 7.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.946 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.31 100.76 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.479 HH22 ' NE2' ' B' ' 49' ' ' GLN . 27.0 mmm180 -97.06 117.53 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.65 118.2 35.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.307 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 11.0 mm -121.67 128.81 75.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.934 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.2 t80 -134.51 135.03 42.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.906 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.18 23.73 12.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.902 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.99 35.33 35.18 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.765 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.402 ' NZ ' ' CD1' ' B' ' 59' ' ' TYR . 7.9 ptmm? -157.47 120.11 3.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 10.0 110.885 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.479 ' NE2' HH22 ' B' ' 42' ' ' ARG . 2.3 pt20 -54.54 141.37 31.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.264 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.3 mp -91.13 119.29 31.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.57 178.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.663 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 0.5 OUTLIER -79.47 129.47 34.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.314 -178.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.473 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.8 m-20 -57.65 -7.67 0.72 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.561 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -99.63 11.31 61.17 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 114.755 -1.111 . . . . 10.0 114.332 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.514 ' HE ' ' CG ' ' B' ' 58' ' ' ASP . 27.1 mmm180 -134.54 162.18 33.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.162 0.481 . . . . 10.0 111.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.445 ' HG1' ' HG ' ' B' ' 57' ' ' SER . 46.8 p -100.12 168.51 9.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.595 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.62 -45.25 85.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.073 0.463 . . . . 10.0 110.134 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.445 ' HG ' ' HG1' ' B' ' 55' ' ' THR . 74.6 p -50.56 -31.68 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.433 -0.803 . . . . 10.0 111.864 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.514 ' CG ' ' HE ' ' B' ' 54' ' ' ARG . 39.0 t70 -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 110.504 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.663 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 21.7 m-85 -99.7 23.4 9.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.497 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.9 m120 41.93 36.92 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.24 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -78.46 105.59 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 10.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -92.12 -175.06 3.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.8 159.05 28.88 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.864 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 58.41 29.6 18.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.423 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -70.59 -159.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.969 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -160.04 88.17 0.81 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.09 0.471 . . . . 10.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.78 157.51 27.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.23 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -117.24 115.8 26.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.889 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 tt -101.37 113.54 26.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 10.0 111.013 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.2 m -125.05 -172.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.801 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.6 pp -145.55 -171.49 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.907 0.384 . . . . 10.0 111.41 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -56.09 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.838 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 tp -126.9 118.39 24.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.671 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -117.23 -59.26 1.97 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.217 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.15 49.19 44.5 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.922 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.264 -1.298 . . . . 10.0 112.664 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.746 0.308 . . . . 10.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.18 150.61 26.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.267 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 5.6 m-85 -120.91 160.52 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.371 0.605 . . . . 10.0 112.234 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.426 HD11 HG23 ' A' ' 5' ' ' ILE . 3.5 pt -120.04 117.95 55.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 6' ' ' VAL . 4.8 m -99.8 106.12 18.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.59 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 12.0 mm-40 -103.26 95.63 6.23 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 118.775 -1.17 . . . . 10.0 108.354 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.429 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -179.06 178.81 0.71 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.488 178.811 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 8.2 p-10 -117.25 103.77 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 73.0 t80 -128.54 121.26 28.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.392 . . . . 10.0 111.498 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -101.19 117.55 35.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.341 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 118.67 3.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 10.0 110.64 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.6 m -88.16 -10.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.049 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -148.18 172.44 14.31 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.544 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.82 -43.45 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.58 -9.48 58.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.25 138.63 31.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.727 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.9 tp -101.85 134.58 44.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.379 -179.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 t -86.19 114.62 23.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.513 ' HB ' ' CG2' ' A' ' 6' ' ' VAL . 29.2 pt -110.67 120.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -115.51 154.14 29.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.604 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.8 t -47.06 123.83 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.32 -17.36 57.48 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.787 -0.642 . . . . 10.0 114.023 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.72 122.2 20.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 10.0 111.386 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.5 mt -91.15 127.16 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.068 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' CD1' HD23 ' A' ' 42' ' ' LEU . 3.5 mm -96.44 124.28 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 28' ' ' ASN . 6.0 mmp_? -47.98 157.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.351 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 27' ' ' ARG . 19.7 p-10 -20.61 104.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.735 0.647 . . . . 10.0 111.714 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 3.0 m -89.43 150.08 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.735 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -127.87 127.93 44.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.395 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -59.37 130.8 48.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.525 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.568 HD12 ' SD ' ' A' ' 48' ' ' MET . 44.6 mt -91.37 172.41 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.671 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' NE2' ' N ' ' A' ' 33' ' ' GLN . 1.4 mp0 -74.16 -7.25 51.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -100.45 130.33 46.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.89 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 19.2 tt0 -63.66 125.36 24.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.428 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.65 8.87 82.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.011 178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -123.06 124.92 44.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 10.0 110.809 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 48' ' ' MET . 9.1 mp -122.41 155.98 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.262 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.491 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tm-20 -115.97 138.63 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.66 174.64 40.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.018 -0.611 . . . . 10.0 111.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 6.0 mp0 -111.88 116.45 30.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 10.0 110.993 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD23 ' CD1' ' A' ' 26' ' ' ILE . 54.8 tp -134.8 133.39 39.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.022 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m120 62.04 29.46 17.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.613 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.69 -5.23 65.64 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.691 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -113.76 130.14 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.879 0.339 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.7 129.74 36.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.17 174.05 36.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.181 -1.009 . . . . 10.0 113.443 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.568 ' SD ' HD12 ' A' ' 32' ' ' LEU . 5.9 mmt -92.41 146.88 23.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.65 -0.275 . . . . 10.0 110.362 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.425 ' CE2' HG22 ' A' ' 26' ' ' ILE . 10.8 p90 -148.1 148.29 29.1 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.431 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.472 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 47.4 Cg_exo -57.6 140.57 93.82 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.715 2.277 . . . . 10.0 112.251 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.34 -34.36 70.44 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.05 8.98 1.33 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 18.9 m-30 -122.37 -1.82 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.0 0.429 . . . . 10.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.1 m -127.17 146.68 32.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -128.56 125.2 37.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.284 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . 42.0 tt0 -61.19 125.31 23.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.041 0.385 . . . . 10.0 112.041 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 4.8 tp -123.32 109.49 23.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.452 178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.76 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.519 0.2 . . . . 10.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -108.91 157.52 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.7 pt -144.68 139.9 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 10.0 111.637 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -81.88 159.7 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.442 ' HB ' HG13 ' B' ' 13' ' ' ILE . 55.4 t -150.62 94.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 10.0 111.106 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -54.92 124.65 17.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.542 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -107.14 130.32 54.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.441 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.7 mt -38.87 -50.26 1.7 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.813 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -50.96 -60.44 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 10.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 157.51 7.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.666 -0.778 . . . . 10.0 113.039 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -86.97 157.86 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 10.0 111.537 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.3 m -96.64 -38.25 10.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.032 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.442 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.6 pt 38.61 87.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 95.0 m -96.9 113.57 25.12 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.195 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.434 ' H ' HD21 ' B' ' 15' ' ' LEU . 2.5 pt? -107.2 158.24 17.26 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.85 136.09 37.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.842 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.407 HG23 ' N ' ' B' ' 18' ' ' GLU . 7.9 p -165.2 160.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.09 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.407 ' N ' HG23 ' B' ' 17' ' ' VAL . 18.0 mt-10 -118.9 162.7 29.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.079 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -62.04 -27.58 79.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 10.0 112.3 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -85.8 -9.45 57.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.838 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -70.4 149.0 47.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.724 0.297 . . . . 10.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -92.16 166.63 12.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.088 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.3 mm -73.63 -34.28 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.25 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.64 -33.42 73.9 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -71.57 -55.66 7.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.033 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.429 ' O ' HG12 ' B' ' 30' ' ' ILE . 24.6 t -46.96 -33.15 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.26 -0.882 . . . . 10.0 111.33 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -73.54 -32.36 64.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.887 0.375 . . . . 10.0 110.717 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.02 -1.87 49.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.93 179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -99.3 -20.71 16.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 ' O ' ' B' ' 26' ' ' VAL . 20.0 mm -87.21 -34.23 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.049 -0.978 . . . . 10.0 109.112 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -4.58 47.7 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.084 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.04 -10.91 15.78 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -125.76 -12.62 6.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.483 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -133.08 -16.42 2.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.739 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 36.32 87.0 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.527 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 14.0 tt -102.61 120.22 53.58 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.745 0.272 . . . . 10.0 110.514 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -52.41 132.8 46.27 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.568 2.179 . . . . 10.0 112.611 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -60.92 -36.8 81.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.635 2.224 . . . . 10.0 111.993 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.42 -14.58 61.24 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -104.4 -28.06 11.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.365 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.61 111.3 5.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.871 . . . . 10.0 112.985 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.55 ' HE ' HH21 ' B' ' 72' ' ' ARG . 26.6 ttm-85 -110.64 119.1 38.03 Favored 'General case' 0 C--N 1.334 -0.074 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.12 126.3 53.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -127.21 127.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.694 0.283 . . . . 10.0 110.517 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -132.91 133.92 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.05 22.38 11.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.547 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 82.13 21.98 59.93 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.491 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -141.03 119.18 12.01 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.948 0.404 . . . . 10.0 111.131 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.43 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 22.5 mp0 -57.56 130.97 48.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.537 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.403 HD12 ' N ' ' B' ' 50' ' ' LEU . 5.3 mp -80.07 123.84 28.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.917 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.605 ' C ' ' H ' ' B' ' 53' ' ' GLY . 7.2 mm-40 -82.71 130.52 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.969 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.512 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.4 p-10 -57.91 -5.39 0.42 Allowed 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.605 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.51 11.53 58.1 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 114.57 -1.196 . . . . 10.0 114.461 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.62 -171.81 2.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.156 0.478 . . . . 10.0 111.371 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.595 ' C ' ' H ' ' B' ' 57' ' ' SER . 25.2 p -129.93 160.18 34.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.768 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.2 mp -67.11 12.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . 0.595 ' H ' ' C ' ' B' ' 55' ' ' THR . 81.3 p -108.31 -27.9 9.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.09 -36.84 82.86 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.15 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.572 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 85.8 m-85 -100.28 20.08 15.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.428 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 t30 43.1 41.19 2.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -81.31 104.89 10.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.781 0.324 . . . . 10.0 111.451 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -91.05 -177.14 4.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.197 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 53.0 tttm -66.77 159.79 27.22 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.67 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.421 ' N ' ' HG2' ' B' ' 63' ' ' LYS . 41.9 mt-10 58.67 28.42 17.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.381 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -96.3 147.5 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.355 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -87.2 155.21 20.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.237 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 97.1 mt -148.41 113.01 5.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -77.09 124.22 27.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 tp -108.87 116.05 31.24 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.554 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 m -125.12 173.95 10.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.968 0.413 . . . . 10.0 111.891 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' B' ' 72' ' ' ARG . 15.5 tp -116.47 -132.61 0.33 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.034 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.55 HH21 ' HE ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -91.98 -57.87 2.59 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.627 0.251 . . . . 10.0 110.931 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.443 HD11 ' N ' ' B' ' 73' ' ' LEU . 0.0 OUTLIER -162.75 4.45 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.492 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -48.42 135.82 13.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.113 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.12 25.07 29.08 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.464 -1.186 . . . . 10.0 112.416 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.878 0.371 . . . . 10.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -151.34 150.41 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.37 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.47 ' CD2' ' HA ' ' A' ' 56' ' ' GLU . 6.0 m-85 -130.35 164.67 24.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 110.972 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.402 HD12 ' HA2' ' A' ' 23' ' ' GLY . 1.8 tp -119.52 116.39 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.521 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 8.4 t -99.64 105.46 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 44.1 tt0 -102.39 95.71 6.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 107.842 -1.169 . . . . 10.0 107.842 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.412 ' N ' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -176.82 163.06 2.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.297 -1.319 . . . . 10.0 109.594 178.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -115.42 111.97 21.61 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.443 ' HB3' HG13 ' A' ' 20' ' ' ILE . 9.4 t80 -142.43 132.74 24.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.954 0.407 . . . . 10.0 111.18 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -103.54 121.8 43.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.363 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.554 ' H ' ' HG1' ' A' ' 19' ' ' THR . . . -54.0 119.07 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.089 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 HG21 ' ND1' ' A' ' 14' ' ' HIS . 33.1 m -100.03 -19.7 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.537 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 50.9 m80 -118.86 162.19 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.31 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' H ' HH22 ' B' ' 72' ' ' ARG . 3.7 m-20 -67.55 -35.3 78.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.426 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -85.9 7.41 24.26 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.892 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 11.0 mm-40 -105.2 136.17 45.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.054 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.6 tp -100.23 146.71 26.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.446 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.554 ' HG1' ' H ' ' A' ' 12' ' ' ALA . 88.5 m -88.68 114.09 24.93 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.443 HG13 ' HB3' ' A' ' 10' ' ' TYR . 2.1 pp -111.6 132.06 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -120.81 149.62 42.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.175 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.562 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.0 m -48.12 123.86 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' HA2' HD12 ' A' ' 5' ' ' ILE . . . 97.31 -21.29 46.96 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.638 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.29 120.84 19.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.864 0.332 . . . . 10.0 111.46 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.53 ' H ' ' CD1' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -91.96 131.89 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.866 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.51 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 50.1 mt -98.67 126.95 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.572 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -77.7 144.45 37.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 10.0 111.862 -179.122 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.5 m120 53.19 50.97 16.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.208 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.51 ' CG2' ' HB ' ' A' ' 26' ' ' ILE . 65.8 t -78.74 115.26 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.46 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -129.54 140.57 51.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -75.45 127.02 32.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 HD23 ' CB ' ' A' ' 39' ' ' GLU . 3.7 mm? -86.44 -178.42 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' NE2' ' H ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -81.25 0.1 38.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.142 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.18 132.17 46.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 24.2 tt0 -68.16 121.76 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.66 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.89 10.61 80.7 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.944 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -125.04 124.64 42.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 10.0 110.786 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 48' ' ' MET . 19.7 mt -127.09 151.81 48.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' CB ' HD23 ' A' ' 32' ' ' LEU . 39.0 tt0 -115.31 142.64 46.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 10.0 110.718 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -167.97 -177.79 39.47 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.772 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.15 116.31 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.967 0.413 . . . . 10.0 110.646 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.66 130.9 40.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.847 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 59.71 29.34 18.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.671 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.1 -19.44 22.1 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.3 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -98.42 130.38 45.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.388 . . . . 10.0 111.439 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -91.7 122.63 34.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.395 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.72 166.79 32.98 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.984 . . . . 10.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.457 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 11.3 tpp -83.91 147.58 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.609 -0.295 . . . . 10.0 110.359 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 2.7 p90 -146.5 155.28 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.83 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.578 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 24.6 Cg_exo -62.66 137.31 63.13 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.487 2.124 . . . . 10.0 112.228 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 53' ' ' PHE . 7.2 p-10 -67.41 -38.11 84.12 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' ND2' ' HZ3' ' B' ' 6' ' ' LYS . 75.1 m-20 -73.13 13.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.578 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 3.3 m-85 -117.54 -25.74 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.978 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.521 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 3.2 m -102.03 150.36 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.7 123.69 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.976 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 11.3 pt-20 -44.72 137.15 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 10.0 111.709 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 8.4 tp -76.12 129.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.484 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -0.816 . . . . 10.0 110.638 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.604 0.24 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.73 156.91 19.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.3 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.2 pt -120.02 -160.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.3 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -159.16 94.04 1.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.102 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.54 136.38 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.528 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.42 ' HZ3' ' ND2' ' A' ' 52' ' ' ASN . 53.1 mtmt -97.06 120.97 38.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.036 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.8 p -103.7 131.47 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.65 0.262 . . . . 10.0 110.91 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -38.12 -52.5 1.43 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -44.23 -58.16 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.244 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.549 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.71 25.33 0.1 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.782 -0.723 . . . . 10.0 113.104 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.51 132.89 56.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.3 p -94.64 82.47 3.96 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 13' ' ' ILE . 16.7 pt -80.06 106.71 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-O 121.489 0.661 . . . . 10.0 111.219 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 18.4 m -79.55 158.63 27.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 107.686 -1.227 . . . . 10.0 107.686 178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.9 tp -152.75 146.89 25.46 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.188 0.449 . . . . 10.0 112.01 -178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -75.2 134.49 41.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.282 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.2 p -166.33 163.32 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.937 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -126.2 159.36 62.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.239 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.32 -26.85 72.63 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.368 2.045 . . . . 10.0 112.66 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -86.31 -15.28 41.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.898 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 143.52 57.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.878 0.37 . . . . 10.0 111.536 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -86.51 163.94 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' B' ' 50' ' ' LEU . 44.8 mt -72.92 -32.74 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.509 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.6 -30.67 71.75 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.289 0.566 . . . . 10.0 109.514 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.94 -56.95 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.188 -0.914 . . . . 10.0 108.72 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 71.6 t -45.91 -33.85 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.07 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -66.79 -45.52 78.16 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -56.11 -51.86 66.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.324 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -51.6 -31.85 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.91 . . . . 10.0 112.244 179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -75.83 -40.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 3.6 pt20 -77.58 -0.86 28.03 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.692 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -108.77 -5.09 16.44 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -133.01 -10.32 3.0 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.076 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -135.18 -18.47 1.77 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.619 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.49 32.44 64.74 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.528 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.5 mp -100.21 116.62 64.31 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.886 0.343 . . . . 10.0 110.773 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.16 132.92 45.47 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.81 2.34 . . . . 10.0 112.811 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' B' ' 40' ' ' GLN . 31.9 Cg_exo -59.26 -38.97 82.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.807 2.338 . . . . 10.0 112.328 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.35 2.83 3.4 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.162 0.506 . . . . 10.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.46 ' H ' ' C ' ' B' ' 38' ' ' PRO . 8.0 tt0 -134.61 19.78 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.284 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -118.94 100.62 7.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.893 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 14' ' ' HIS . 20.9 mmt180 -96.34 122.88 39.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.734 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.4 ' H ' HE21 ' B' ' 49' ' ' GLN . 92.5 mt -112.64 121.95 46.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.158 -179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mt -122.68 128.55 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.314 . . . . 10.0 110.649 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -134.22 131.19 38.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.74 9.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.991 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.15 31.29 31.95 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.569 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.72 115.18 4.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 10.0 110.725 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.4 HE21 ' H ' ' B' ' 43' ' ' LEU . 12.9 tm0? -53.75 135.59 41.16 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.589 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.485 ' HB3' ' CD1' ' B' ' 23' ' ' ILE . 86.7 mt -84.59 119.18 24.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.544 ' C ' ' N ' ' B' ' 53' ' ' GLY . 0.1 OUTLIER -77.11 123.29 26.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.192 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.09 -19.63 0.08 Allowed 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.864 0.84 . . . . 10.0 108.766 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.544 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -65.97 -74.1 0.55 Allowed Glycine 0 N--CA 1.422 -2.278 0 CA-C-N 113.854 -1.521 . . . . 10.0 112.818 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -58.29 168.89 0.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.2 t -105.04 176.19 5.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 113.863 -1.517 . . . . 10.0 109.979 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.24 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 10.0 110.397 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -50.73 -32.64 20.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.703 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.28 -52.01 67.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.096 0.474 . . . . 10.0 109.972 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.465 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 96.9 m-85 -89.56 25.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.935 179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 39.6 35.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.881 -0.599 . . . . 10.0 112.226 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -74.67 108.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -94.14 -177.68 4.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -69.05 157.08 37.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.126 0.489 . . . . 10.0 111.859 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.49 26.2 15.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.305 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 t -95.54 148.97 21.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.2 t -87.49 153.81 21.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.663 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 mp -145.46 110.37 5.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.911 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' CG2' ' B' ' 70' ' ' VAL . 12.9 t-160 -74.09 118.22 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -103.15 112.91 25.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.398 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.433 ' CG2' ' CE1' ' B' ' 68' ' ' HIS . 58.7 t -112.63 159.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.596 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 tt -128.97 -69.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.424 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.562 HH22 ' H ' ' A' ' 15' ' ' ASP . 4.6 tpm_? -158.59 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.477 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 tp -162.86 86.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.571 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.5 tpt85 -103.25 129.08 50.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.519 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.19 39.07 3.04 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.06 -0.591 . . . . 10.0 112.879 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.416 -1.213 . . . . 10.0 112.586 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.76 0.314 . . . . 10.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -84.69 165.86 17.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.622 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.481 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 5.0 m-85 -130.37 165.7 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 tp -120.75 117.13 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.32 -1.363 . . . . 10.0 107.32 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.427 HG11 ' HB ' ' A' ' 20' ' ' ILE . 15.4 t -102.69 105.29 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 N-CA-C 112.806 0.669 . . . . 10.0 112.806 -176.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 42.3 mt-10 -102.66 95.62 6.33 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.434 -1.321 . . . . 10.0 107.434 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.431 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -177.33 168.99 2.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.334 -1.303 . . . . 10.0 109.492 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.434 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 9.5 m-20 -117.57 110.54 18.06 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.407 ' HB3' HG12 ' A' ' 20' ' ' ILE . 33.3 t80 -140.81 133.16 28.3 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.03 0.443 . . . . 10.0 111.453 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.02 125.74 51.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.14 119.58 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.23 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 t -85.96 -16.62 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.009 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -139.68 172.66 12.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.326 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 17' ' ' GLU . 16.8 t70 -70.37 -44.1 68.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.929 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' H ' ' CD2' ' B' ' 73' ' ' LEU . 7.8 p-10 -66.5 -1.67 3.84 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.794 0.33 . . . . 10.0 110.499 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 15' ' ' ASP . 57.0 mt-10 -106.37 136.19 46.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.07 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HA ' HH21 ' A' ' 45' ' ' ARG . 0.5 OUTLIER -98.61 143.92 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.522 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -89.73 114.64 26.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.427 ' HB ' HG11 ' A' ' 6' ' ' VAL . 2.1 pt -114.18 129.54 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.636 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -117.55 154.31 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.35 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 52.8 t -48.54 123.59 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.234 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.03 -17.81 58.61 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.032 -0.604 . . . . 10.0 113.529 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 118.75 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 10.0 111.234 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 pt -91.92 133.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.295 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 34.9 mt -99.6 127.21 52.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.597 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -71.99 145.7 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.713 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 40.77 63.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.539 -0.755 . . . . 10.0 113.034 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.481 ' HB ' ' CD1' ' A' ' 4' ' ' TYR . 54.1 t -83.79 124.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 10.0 110.484 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -131.33 140.8 49.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.637 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HZ3' ' HH ' ' A' ' 4' ' ' TYR . 2.4 mppt? -67.45 133.2 49.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.989 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 34.0 tp -89.54 170.5 10.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.369 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 12.8 mm100 -74.16 -1.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.403 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.0 135.53 48.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.727 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.594 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 18.5 tt0 -65.55 120.18 12.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.22 13.35 68.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.424 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 70.1 m95 -122.74 125.22 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 10.0 110.804 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -130.62 150.85 51.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.79 140.42 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.792 0.329 . . . . 10.0 110.656 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -165.83 -179.47 39.44 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.683 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.87 116.28 27.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 10.0 110.648 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.16 134.66 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 61.65 29.26 18.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.99 16.55 80.6 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.019 -0.61 . . . . 10.0 113.658 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.423 HH21 ' HA ' ' A' ' 18' ' ' LEU . 51.5 ttp85 -138.55 133.66 32.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.722 0.296 . . . . 10.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 16.9 ptm180 -87.96 123.83 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 161.37 29.28 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.762 -0.732 . . . . 10.0 112.833 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -85.43 146.86 26.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 10.0 110.319 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' HG12 ' A' ' 54' ' ' VAL . 1.4 p90 -141.9 157.38 64.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.411 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.546 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 15.5 Cg_exo -67.96 136.37 37.97 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.641 2.227 . . . . 10.0 111.925 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' C ' ' H ' ' A' ' 53' ' ' PHE . 24.6 t70 -65.13 -35.96 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -73.66 15.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 4.6 m-85 -123.9 -28.74 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.159 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.448 HG12 ' CD1' ' A' ' 49' ' ' PHE . 4.4 m -102.69 147.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.812 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -132.4 127.27 35.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.293 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -44.18 139.59 2.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.372 . . . . 10.0 111.641 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 tp -73.83 128.08 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.46 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.793 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.481 0.182 . . . . 10.0 111.069 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -110.32 156.03 21.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.83 0.348 . . . . 10.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.478 ' O ' ' HA ' ' B' ' 14' ' ' THR . 2.1 pp -140.16 145.0 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.474 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -102.88 114.96 29.67 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.14 141.83 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.479 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.38 119.3 36.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.435 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -100.19 130.86 46.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.862 0.363 . . . . 10.0 111.528 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.571 ' H ' HD12 ' B' ' 8' ' ' LEU . 2.3 mp -40.53 -47.96 2.76 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 10.0 112.153 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 m -53.87 -53.42 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 10.0 110.771 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.594 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 144.04 22.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.111 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -112.59 129.01 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 10.0 111.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -95.73 89.28 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.507 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 mm -86.84 109.58 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.314 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 1.9 t -96.09 111.95 23.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.417 ' N ' HD13 ' B' ' 15' ' ' LEU . 5.0 mp -103.16 160.0 15.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -78.12 138.84 38.93 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.4 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 10.8 p -166.16 159.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 10.0 111.427 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.413 ' HB3' ' HD2' ' B' ' 19' ' ' PRO . 35.9 mt-10 -119.92 158.33 50.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.18 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' B' ' 18' ' ' GLU . 18.1 Cg_endo -59.62 -26.82 83.31 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.421 2.08 . . . . 10.0 112.334 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -86.86 -9.59 55.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.614 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.44 146.88 52.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 10.0 111.208 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.1 p -89.61 166.05 13.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.142 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.473 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 26.1 mm -74.98 -34.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.866 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.11 -35.74 75.91 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.81 -60.09 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.286 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.4 HG12 ' O ' ' B' ' 23' ' ' ILE . 0.3 OUTLIER -44.98 -29.49 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.073 178.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.68 -44.8 76.92 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.14 50.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -47.58 -30.9 3.95 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.3 mm -76.64 -39.9 32.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.889 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -79.42 -1.58 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -108.92 -11.24 15.02 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.114 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -130.31 -2.98 4.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.141 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -138.03 -21.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.527 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.51 27.97 66.54 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 121.151 -0.547 . . . . 10.0 113.483 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.4 120.3 59.69 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.797 0.298 . . . . 10.0 110.758 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.24 139.72 62.89 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.626 2.218 . . . . 10.0 112.225 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.95 -37.11 27.83 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.484 2.122 . . . . 10.0 111.926 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -67.35 -12.24 59.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.815 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.32 19.69 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.099 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.63 97.11 5.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.351 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -94.33 119.44 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.618 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.0 116.38 29.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.335 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.432 ' CG1' ' HB3' ' B' ' 68' ' ' HIS . 26.9 pt -119.5 130.45 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -134.92 133.87 40.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 16.32 8.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 89.75 11.9 63.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.96 -0.638 . . . . 10.0 112.934 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -131.25 121.13 24.24 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.758 0.313 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -60.74 126.62 28.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -75.74 124.21 26.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.586 ' C ' ' H ' ' B' ' 53' ' ' GLY . 8.6 tp10 -82.98 131.72 35.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.776 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.473 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.8 m-20 -60.68 -2.28 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.524 0.678 . . . . 10.0 109.453 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -103.1 10.2 54.99 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 114.736 -1.12 . . . . 10.0 113.705 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -134.14 159.53 40.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 10.0 111.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 66.0 p -97.69 169.65 9.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.42 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.01 -44.55 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 10.0 109.952 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -48.62 -35.01 12.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.823 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.85 -48.94 79.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.053 0.454 . . . . 10.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.509 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 97.0 m-85 -92.65 23.67 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.888 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 p30 40.55 40.49 0.91 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.008 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -79.79 105.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.464 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -90.36 -178.04 5.25 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.921 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 158.46 33.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.126 0.489 . . . . 10.0 111.895 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 61.06 28.03 17.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.1 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 82.6 p -97.65 147.16 24.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.507 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -84.09 155.69 22.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -149.53 102.59 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.432 ' HB3' ' CG1' ' B' ' 44' ' ' ILE . 7.9 t-80 -69.52 124.59 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -108.22 118.83 37.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.217 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.415 HG13 ' HD1' ' B' ' 68' ' ' HIS . 12.9 m -126.09 177.82 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 -168.7 1.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.66 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -72.01 -161.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.406 ' CD2' ' H ' ' A' ' 16' ' ' ASP . 3.4 tm? -63.04 122.13 15.29 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.457 ' NH2' HD23 ' B' ' 8' ' ' LEU . 38.9 mtm105 -139.57 176.68 8.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.57 3.0 86.47 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.078 -0.582 . . . . 10.0 112.465 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.429 -1.206 . . . . 10.0 112.436 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -84.25 153.62 23.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.772 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.551 ' CD1' ' HB ' ' A' ' 29' ' ' VAL . 7.0 m-85 -128.27 166.68 18.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 10.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.426 HD12 HG21 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -127.56 117.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 177.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 19.9 t -98.24 107.4 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 N-CA-C 113.234 0.828 . . . . 10.0 113.234 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.0 mt-10 -100.78 94.82 6.26 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -178.08 172.89 1.55 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.33 -1.305 . . . . 10.0 109.427 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.03 110.66 15.62 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' HB3' HG12 ' A' ' 20' ' ' ILE . 73.6 t80 -140.29 131.87 27.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.945 0.402 . . . . 10.0 111.034 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.03 125.27 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 119.6 6.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -92.33 -18.19 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.231 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.533 ' CG ' ' H ' ' A' ' 15' ' ' ASP . 43.2 t-80 -137.6 175.84 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.885 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.533 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 t70 -65.65 -44.77 85.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.517 ' H ' ' HD1' ' A' ' 14' ' ' HIS . 2.0 m-20 -73.8 -1.12 18.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.896 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.07 135.92 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.272 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -104.24 138.69 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.186 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -85.57 113.19 21.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.444 ' HB ' HG13 ' A' ' 6' ' ' VAL . 7.0 pt -114.95 128.23 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -121.48 156.69 32.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.47 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.522 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 15.7 m -47.95 124.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 10.0 112.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.92 -21.18 40.97 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.01 -0.614 . . . . 10.0 113.686 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.26 114.87 8.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.959 0.38 . . . . 10.0 111.045 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 pt -87.96 134.13 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 42.1 mt -101.54 123.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.476 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -74.87 146.66 41.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.165 0.507 . . . . 10.0 111.772 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.542 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER 43.69 62.12 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.437 -0.802 . . . . 10.0 113.044 178.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.551 ' HB ' ' CD1' ' A' ' 4' ' ' TYR . 73.5 t -82.86 123.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 10.0 110.465 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -128.39 133.99 48.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HZ1' ' HH ' ' A' ' 4' ' ' TYR . 2.3 mppt? -68.43 128.77 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.606 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.51 176.79 7.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.797 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -76.92 -6.68 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.405 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -96.88 131.21 43.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.409 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.451 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 20.1 tt0 -65.46 122.2 16.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.47 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.42 8.72 80.52 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.758 -0.656 . . . . 10.0 113.508 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.491 ' CD1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -124.47 124.88 43.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 10.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 48' ' ' MET . 8.5 mp -125.44 155.25 40.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.353 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp20? -115.82 146.32 42.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.759 0.314 . . . . 10.0 110.363 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -170.97 -178.29 41.43 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.061 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.34 115.96 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 10.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.8 tt -128.96 127.1 41.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.539 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.4 t30 61.88 32.59 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.462 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.1 -20.11 8.94 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.118 -0.563 . . . . 10.0 113.551 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -100.29 130.29 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 10.0 110.904 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 46' ' ' ARG . 10.3 mtp180 -90.89 131.67 36.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.32 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.55 168.13 34.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.898 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.491 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 35.0 mtt -85.72 146.87 26.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -147.44 157.19 45.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.386 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.565 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 21.4 Cg_exo -65.23 137.85 53.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.65 2.233 . . . . 10.0 112.271 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 53' ' ' PHE . 11.9 p-10 -66.37 -41.65 89.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.723 0.638 . . . . 10.0 112.723 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.402 HD21 ' NE2' ' B' ' 68' ' ' HIS . 70.4 m-20 -71.11 16.58 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 3.4 m-85 -119.94 -27.53 5.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.949 0.404 . . . . 10.0 110.072 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.465 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 3.4 m -102.61 148.13 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.492 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -127.81 120.45 27.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.74 138.85 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.117 0.484 . . . . 10.0 112.105 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.9 mm -102.26 129.68 53.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.117 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.133 -0.937 . . . . 10.0 110.954 -179.599 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.495 0.188 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -107.67 156.69 18.79 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.632 0.253 . . . . 10.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -139.08 144.97 28.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.408 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.93 112.55 25.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 10.0 111.762 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.36 141.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.272 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -98.63 123.66 42.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -102.39 129.49 48.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.354 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.407 HD11 ' H ' ' B' ' 71' ' ' LEU . 83.5 mt -42.16 -38.07 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.434 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -59.73 -54.09 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.809 0.338 . . . . 10.0 110.462 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.76 23.5 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.985 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.02 137.93 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.439 . . . . 10.0 111.993 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -103.69 89.59 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.506 -0.77 . . . . 10.0 108.933 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 pt -81.01 116.87 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.611 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 44.0 p -90.26 124.71 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.145 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.34 147.52 46.95 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.91 130.61 37.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.752 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -160.37 157.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.228 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -119.31 159.61 44.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.468 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.01 -25.73 80.46 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.56 2.173 . . . . 10.0 112.35 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -88.18 -11.1 47.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.438 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.17 145.51 55.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.233 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.3 p -91.24 160.65 15.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.209 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.4 mm -67.91 -39.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.155 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.93 -33.16 66.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.99 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.89 -56.31 5.95 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.41 ' HA ' ' NZ ' ' B' ' 29' ' ' LYS . 93.7 t -45.17 -34.21 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.0 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.77 -46.94 80.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.914 0.388 . . . . 10.0 110.08 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.53 57.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.334 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' B' ' 26' ' ' VAL . 37.4 mtmm -49.58 -30.49 8.75 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.514 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -78.79 -38.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' B' ' 31' ' ' GLN . 0.9 OUTLIER -77.41 -4.41 45.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.509 179.235 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -107.75 -10.78 15.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.103 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -124.5 -15.42 6.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.342 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -129.79 -14.39 4.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.418 -0.356 . . . . 10.0 111.106 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 35.25 88.47 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.25 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.74 118.07 59.27 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.693 0.247 . . . . 10.0 110.417 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.445 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 9.8 Cg_endo -54.34 133.74 57.57 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.625 2.217 . . . . 10.0 112.723 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -59.51 -37.9 86.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.965 2.444 . . . . 10.0 112.77 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.86 -11.84 57.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.982 0.42 . . . . 10.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -118.92 21.05 12.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.438 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 22.4 mt-30 -116.12 102.53 9.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.248 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.402 ' NE ' HG12 ' B' ' 70' ' ' VAL . 57.0 mtp180 -98.03 117.98 33.59 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.5 mp -110.5 119.18 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.162 -179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.03 129.2 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 10.0 110.631 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -136.26 133.3 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 19.67 9.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.678 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.5 30.83 32.09 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.614 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -150.21 118.12 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.022 0.439 . . . . 10.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.475 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 23.1 mp0 -56.35 132.74 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.67 125.99 30.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.335 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.505 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 34.9 tt0 -85.08 129.55 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.132 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.62 -26.57 13.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.527 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.505 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -90.73 13.78 64.85 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.136 -0.554 . . . . 10.0 113.62 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -125.22 154.41 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.684 0.278 . . . . 10.0 110.794 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.6 p -99.08 169.16 9.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.715 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.1 -44.56 87.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.47 . . . . 10.0 110.059 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -50.16 -32.8 17.11 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.619 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.055 0.455 . . . . 10.0 110.4 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -95.87 23.2 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.754 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 42.47 36.19 0.75 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.181 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -76.74 106.3 6.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 10.0 111.403 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -92.87 -179.41 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.781 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.68 157.72 33.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.113 0.483 . . . . 10.0 111.867 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.86 26.1 14.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.265 -0.88 . . . . 10.0 111.187 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -71.94 -161.35 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 32.6 p -157.49 90.47 1.1 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.846 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.23 154.44 23.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.816 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.402 ' NE2' HD21 ' A' ' 52' ' ' ASN . 54.6 m80 -113.89 118.48 34.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.553 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 5.1 tt -101.51 114.47 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.231 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' B' ' 71' ' ' LEU . 12.7 p -120.49 165.51 15.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.966 0.412 . . . . 10.0 111.703 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.421 HD22 ' N ' ' B' ' 72' ' ' ARG . 6.7 tt -152.64 133.38 13.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.421 ' N ' HD22 ' B' ' 71' ' ' LEU . 80.0 ttt180 -51.01 106.48 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.062 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 54.85 91.84 0.03 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.054 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -116.84 -60.6 1.83 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.484 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.57 -2.19 15.07 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.408 -1.218 . . . . 10.0 112.659 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.516 ' CD2' HG11 ' A' ' 29' ' ' VAL . 5.0 m-30 -103.25 167.62 9.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.503 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.4 121.69 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.266 -0.879 . . . . 10.0 108.935 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.86 HG21 ' HB ' ' A' ' 20' ' ' ILE . 30.0 m -97.43 107.02 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 3.5 mp0 -97.23 96.43 8.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 118.555 -1.258 . . . . 10.0 108.61 176.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -178.14 -171.45 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.296 -1.32 . . . . 10.0 108.339 178.743 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -133.34 34.05 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.084 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -58.89 135.11 57.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -112.71 130.92 55.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.621 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.08 119.33 4.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -90.43 -24.8 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.143 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.495 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 29.4 m80 -127.35 175.62 8.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.718 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.18 -39.97 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 48' ' ' MET . 5.3 p-10 -78.8 -1.2 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' HB2' ' A' ' 14' ' ' HIS . 50.4 mm-40 -91.48 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.39 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 140.32 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -86.72 113.48 22.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.584 -0.446 . . . . 10.0 109.812 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.86 ' HB ' HG21 ' A' ' 6' ' ' VAL . 22.1 pt -113.19 123.64 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.959 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 6' ' ' VAL . 98.7 mtt180 -122.88 161.35 24.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.686 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 20.1 t -47.64 124.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.456 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.01 -20.31 37.07 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.738 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.68 ' O ' HG22 ' A' ' 6' ' ' VAL . 24.4 mt-10 -68.1 115.12 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.072 0.436 . . . . 10.0 111.041 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.6 pt -90.44 129.09 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.457 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.705 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.4 mp -96.07 123.37 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.332 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 41' ' ' GLU . 92.4 mtt180 -70.91 144.89 50.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.351 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 35.71 70.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG11 ' CD2' ' A' ' 4' ' ' TYR . 25.2 t -82.2 130.21 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.016 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -130.27 132.67 46.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.808 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.38 126.95 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.44 178.62 6.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.964 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 7.1 mp0 -93.89 128.37 40.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.625 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 17.7 tt0 -57.59 118.22 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.114 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.89 -32.63 5.72 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.869 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 15.5 m95 -73.1 124.28 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 10.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.884 HD12 HG11 ' A' ' 54' ' ' VAL . 32.5 mt -126.4 149.59 49.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -116.15 138.45 51.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 10.0 110.255 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.53 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -164.47 178.24 39.8 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.095 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 4.3 mp0 -108.88 115.51 30.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.988 0.423 . . . . 10.0 110.744 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.6 tt -133.1 128.2 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.757 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.667 ' N ' HD23 ' A' ' 42' ' ' LEU . 12.9 t-20 61.78 32.0 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.426 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.38 4.86 75.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.001 -0.619 . . . . 10.0 113.354 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -117.46 129.5 55.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 10.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -91.69 120.44 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.715 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.85 167.55 33.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.657 -0.783 . . . . 10.0 112.811 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 20.1 ptp -93.68 151.93 19.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HB2' HD13 ' A' ' 20' ' ' ILE . 16.1 p90 -152.5 150.59 25.32 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.24 145.15 78.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.596 2.197 . . . . 10.0 112.545 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 54' ' ' VAL . 12.7 t70 -78.26 -22.32 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.648 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -76.25 4.89 7.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.522 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.09 -6.69 8.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.383 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.884 HG11 HD12 ' A' ' 38' ' ' LEU . 14.2 p -116.7 144.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.325 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -130.35 108.55 10.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.699 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 4' ' ' TYR . 29.5 tt0 -54.54 122.5 10.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 10.0 111.732 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' ILE . 13.1 tt -121.64 101.38 10.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.698 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' B' ' 19' ' ' PRO . 23.2 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.698 0.285 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -108.89 155.31 20.97 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -143.02 141.81 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.861 0.362 . . . . 10.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.45 158.94 21.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.377 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -145.0 119.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -83.24 117.5 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.68 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -99.75 127.17 45.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -40.07 -40.62 1.1 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.9 p -58.97 -54.52 46.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 10.0 110.718 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.625 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.66 24.69 0.11 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.917 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -113.86 133.01 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.014 0.435 . . . . 10.0 111.784 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -98.89 84.3 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.672 -0.695 . . . . 10.0 109.453 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 pt -79.15 110.57 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.376 0.608 . . . . 10.0 110.873 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 54.1 m -95.47 109.08 21.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.551 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 15' ' ' LEU . 6.5 mp -105.52 155.24 19.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.469 0.915 . . . . 10.0 113.469 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -76.14 138.1 40.51 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.09 -0.959 . . . . 10.0 110.578 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.5 p -165.3 159.3 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.895 0.378 . . . . 10.0 111.563 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' HG22 ' B' ' 17' ' ' VAL . 8.6 mp0 -117.67 158.24 45.9 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.279 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.451 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 27.7 Cg_endo -62.7 -20.72 71.78 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.355 2.036 . . . . 10.0 112.165 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.0 p -92.38 -11.53 34.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.303 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.48 147.72 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.028 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 23.7 p -91.97 162.32 14.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.008 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 31.3 mm -69.56 -34.95 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.8 -32.56 71.9 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.158 0.504 . . . . 10.0 109.71 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -71.67 -56.89 4.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.851 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -45.84 -33.55 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.051 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.15 -42.85 88.49 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.903 0.383 . . . . 10.0 110.258 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -52.1 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.092 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -49.57 -32.27 12.29 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.091 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.632 HD12 ' OE1' ' B' ' 41' ' ' GLN . 38.7 mt -77.92 -37.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.203 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -76.05 -6.28 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.312 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.67 -9.68 15.79 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.426 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -124.55 -15.3 6.63 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.667 -0.242 . . . . 10.0 111.604 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.14 -10.4 2.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.979 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.12 40.82 99.63 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.083 -0.58 . . . . 10.0 113.504 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -106.87 111.96 63.56 Favored Pre-proline 0 C--O 1.233 0.198 0 CA-C-N 116.749 0.274 . . . . 10.0 110.761 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 86.7 Cg_exo -46.81 132.94 17.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.929 2.419 . . . . 10.0 113.03 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -59.8 -38.67 78.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.866 2.377 . . . . 10.0 112.684 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.58 -13.14 61.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.122 0.487 . . . . 10.0 110.752 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -117.61 21.69 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.009 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.632 ' OE1' HD12 ' B' ' 30' ' ' ILE . 8.4 tt0 -118.24 101.87 8.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.214 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.437 ' HB2' HG23 ' B' ' 70' ' ' VAL . 14.1 mmm180 -97.6 120.18 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.896 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -112.05 119.71 39.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.389 -0.368 . . . . 10.0 110.107 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.2 128.58 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 10.0 110.722 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -134.99 131.7 37.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.907 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.0 20.34 12.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.275 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.69 28.76 34.3 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.101 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -154.94 125.76 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 10.0 110.751 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.411 ' HB2' HH12 ' B' ' 42' ' ' ARG . 14.3 pt20 -56.17 140.96 42.58 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -89.58 121.52 31.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.657 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' B' ' 53' ' ' GLY . 36.1 mt-10 -80.25 126.77 31.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.369 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.9 p-10 -57.35 -6.62 0.45 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -100.0 11.48 60.55 Favored Glycine 0 N--CA 1.433 -1.516 0 CA-C-N 114.669 -1.151 . . . . 10.0 114.315 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -135.33 162.5 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 117.149 0.474 . . . . 10.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.9 p -99.14 168.89 9.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.7 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.451 ' N ' HD22 ' B' ' 56' ' ' LEU . 3.3 mm? -57.71 -44.58 86.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -49.97 -32.45 15.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.575 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.62 -46.88 88.6 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.051 0.453 . . . . 10.0 110.27 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.06 22.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.569 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 41.75 36.45 0.61 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.044 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -77.91 107.59 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 10.0 111.238 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -93.27 -175.65 3.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -68.09 156.22 37.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 64.31 25.86 13.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.475 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.421 ' HB3' ' H ' ' B' ' 66' ' ' THR . 24.4 m -70.91 -161.41 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.951 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.421 ' H ' ' HB3' ' B' ' 65' ' ' SER . 1.8 t -159.12 90.9 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 10.0 110.737 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.509 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.6 mp -82.5 156.58 23.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.683 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -116.38 116.14 27.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.196 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.1 tp -98.58 113.13 25.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.749 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 42' ' ' ARG . 20.7 m . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.195 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.533 ' O ' HG22 ' A' ' 57' ' ' ILE . 11.5 t70 . . . . . 0 CA--C 1.524 -0.02 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.707 ' HB2' HG21 ' A' ' 29' ' ' VAL . 7.6 m-85 -132.87 166.14 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 10.0 111.3 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.499 HG12 HG22 ' A' ' 25' ' ' ILE . 48.5 mt -120.11 116.95 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 107.461 -1.311 . . . . 10.0 107.461 178.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.932 HG12 HG12 ' A' ' 54' ' ' VAL . 15.3 m -96.6 106.59 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -176.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 43.1 tt0 -97.22 97.18 8.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -175.67 171.01 2.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.516 -1.22 . . . . 10.0 109.097 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.9 28.86 8.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.918 0.389 . . . . 10.0 110.489 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.21 141.09 58.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.795 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.71 141.49 51.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.171 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -53.72 118.98 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -91.98 -28.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.255 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 5.8 t-160 -129.28 -179.87 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.06 -44.45 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.991 0.424 . . . . 10.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -1.46 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.29 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' A' ' 14' ' ' HIS . 11.8 mm-40 -94.78 139.58 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 10.0 110.509 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 42' ' ' LEU . 17.4 tp -106.13 139.88 39.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 4.5 t -86.99 113.94 23.17 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.891 ' HB ' HG21 ' A' ' 6' ' ' VAL . 19.6 pt -113.07 125.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.433 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -116.09 152.29 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.39 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 18.6 m -47.25 124.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -19.13 52.49 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.797 -0.638 . . . . 10.0 113.587 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.746 ' O ' HG22 ' A' ' 6' ' ' VAL . 19.4 mm-40 -68.38 119.05 12.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 10.0 111.046 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.499 HG22 HG12 ' A' ' 5' ' ' ILE . 24.1 pt -91.06 128.76 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.447 HD11 HG11 ' A' ' 6' ' ' VAL . 31.7 mt -99.19 128.96 50.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.429 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -79.74 145.36 32.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.153 0.502 . . . . 10.0 111.663 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 48.75 56.98 6.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.866 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 4' ' ' TYR . 74.1 t -81.57 123.67 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.299 . . . . 10.0 110.392 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -132.23 150.21 52.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.79 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -72.71 130.71 41.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 tp -89.62 167.24 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.371 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.1 -15.7 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 10.0 110.394 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.77 130.9 38.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.629 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.55 ' CG ' ' HA2' ' B' ' 10' ' ' GLY . 0.7 OUTLIER -64.59 123.28 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.972 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 86.26 12.04 71.23 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.713 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.47 ' CD1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -127.36 126.41 42.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.996 0.427 . . . . 10.0 110.995 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -125.37 157.26 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -116.39 138.18 51.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 10.0 110.374 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.7 176.57 40.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.326 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.59 116.08 30.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 10.0 110.489 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HB3' HD21 ' A' ' 18' ' ' LEU . 36.5 tp -135.72 133.02 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.633 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.44 31.65 19.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.425 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 19.99 79.07 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.133 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 45' ' ' ARG . 33.1 mtm-85 -136.93 129.79 30.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.31 . . . . 10.0 110.662 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -89.17 123.28 33.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.114 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.96 167.15 33.2 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.957 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.485 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 57.6 mtt -88.5 147.39 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.662 0.268 . . . . 10.0 110.319 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 54' ' ' VAL . 3.3 p90 -147.01 148.3 32.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 10.0 111.513 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.532 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 51.2 Cg_exo -56.83 136.54 77.02 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.976 2.451 . . . . 10.0 112.704 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.02 -41.09 91.41 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -68.24 4.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 9.1 m-30 -113.36 -15.22 12.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 10.0 109.977 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.932 HG12 HG12 ' A' ' 6' ' ' VAL . 3.6 m -111.58 146.91 15.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.362 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.3 124.69 27.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.432 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 9.2 tp10 -43.83 137.6 3.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.016 0.436 . . . . 10.0 111.976 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 3' ' ' ASP . 17.3 tt -75.22 130.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.559 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.106 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.54 0.21 . . . . 10.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -111.03 156.95 20.52 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 10.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 pt -139.19 141.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.605 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.34 113.15 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.649 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -94.78 141.4 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.16 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -100.84 126.46 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.477 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -95.22 170.23 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.282 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.489 ' C ' HD12 ' B' ' 8' ' ' LEU . 3.6 pp -88.54 -7.38 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 10.0 111.148 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.407 ' N ' HD12 ' B' ' 8' ' ' LEU . 80.0 m -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.262 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.55 ' HA2' ' CG ' ' A' ' 35' ' ' GLU . . . 143.7 15.54 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.273 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -108.33 136.38 48.06 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.9 p -102.79 91.64 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.532 -0.914 . . . . 10.0 108.532 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.403 HG12 ' H ' ' B' ' 13' ' ' ILE . 14.0 pt -85.29 112.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.161 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 28.2 m -81.85 141.65 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.14 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -135.01 144.86 47.59 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.208 0.448 . . . . 10.0 112.208 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -81.87 122.47 27.77 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.159 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -155.77 161.68 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.199 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.92 161.26 39.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.428 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.55 -27.81 85.89 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.56 2.173 . . . . 10.0 112.43 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -86.34 -7.03 58.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.585 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.71 146.84 49.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 10.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -91.07 161.35 15.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.151 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -69.92 -34.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.377 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.66 -32.22 72.37 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.074 0.464 . . . . 10.0 109.772 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.85 -56.54 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.522 -0.763 . . . . 10.0 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -45.52 -30.88 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.902 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -71.73 -39.55 70.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.04 29.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.423 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -98.88 -22.22 15.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.915 -1.142 . . . . 10.0 107.915 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.673 HD12 ' OE1' ' B' ' 41' ' ' GLN . 43.6 mt -86.93 -32.94 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.734 -1.121 . . . . 10.0 109.765 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.426 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 60.5 tt0 -80.29 -4.28 52.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.124 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -107.51 -12.82 15.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.998 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -117.49 -30.33 5.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -119.06 -12.82 9.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.823 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.03 34.07 80.68 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.797 -0.716 . . . . 10.0 113.402 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.45 119.75 59.47 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.762 0.281 . . . . 10.0 110.679 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -53.26 133.49 52.93 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.754 2.303 . . . . 10.0 112.743 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 34.2 Cg_exo -60.31 -38.39 75.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.813 2.342 . . . . 10.0 112.118 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.56 -21.1 66.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -112.34 19.67 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.612 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.673 ' OE1' HD12 ' B' ' 30' ' ' ILE . 8.6 tt0 -115.58 99.38 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.436 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.454 ' HB2' HG23 ' B' ' 70' ' ' VAL . 52.3 mtm180 -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.375 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.493 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 9.6 mp -111.42 120.6 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.357 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.652 ' C ' HD13 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -125.29 127.8 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.464 ' N ' HD13 ' B' ' 44' ' ' ILE . 40.2 t80 -135.34 135.19 40.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.642 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 16.94 10.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.87 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.449 ' CA ' HD11 ' B' ' 44' ' ' ILE . . . 90.98 5.5 67.99 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.202 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -128.47 128.04 43.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.956 0.408 . . . . 10.0 111.519 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.48 130.71 45.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.328 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -76.86 127.0 31.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.486 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -85.54 131.29 34.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.71 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.503 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.4 p-10 -59.08 -10.33 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.079 0.466 . . . . 10.0 110.359 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.19 11.92 60.28 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.513 -0.767 . . . . 10.0 113.557 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -117.92 -172.48 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 10.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.472 ' C ' ' H ' ' B' ' 57' ' ' SER . 52.5 p -132.17 159.03 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.817 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.4 8.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 55' ' ' THR . 47.1 t -103.54 -28.23 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.42 -41.28 93.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.976 -1.011 . . . . 10.0 110.21 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -96.58 20.89 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.546 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.74 40.93 2.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mm -80.63 103.76 8.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -90.17 -177.39 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.01 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.0 159.38 28.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.721 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 59.74 26.67 15.82 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.576 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -91.61 146.73 23.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.8 t -104.82 111.52 24.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.2 mp -94.85 149.8 20.86 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.775 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.456 ' HB3' HG23 ' B' ' 44' ' ' ILE . 5.1 t-80 -106.82 125.58 51.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 10.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 70' ' ' VAL . 3.1 tt -105.83 115.8 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.062 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' B' ' 42' ' ' ARG . 29.0 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.461 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.516 0.198 . . . . 10.0 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 14.4 m-30 -113.67 167.61 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.548 HG12 HG22 ' A' ' 25' ' ' ILE . 39.7 mt -117.35 118.08 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.725 HG11 HD12 ' A' ' 20' ' ' ILE . 21.3 t -98.75 105.81 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 54.1 tp10 -102.8 95.35 6.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.042 -1.063 . . . . 10.0 108.369 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -178.72 177.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.507 -1.224 . . . . 10.0 109.496 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.38 106.48 14.05 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 50' ' ' PRO . 64.9 t80 -141.41 133.94 28.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.994 0.426 . . . . 10.0 111.667 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -118.74 135.29 54.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.711 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.846 ' H ' HG22 ' A' ' 19' ' ' THR . . . -58.53 123.27 15.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.225 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.36 -27.95 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -122.01 172.92 7.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.42 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.33 -38.37 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -80.16 3.24 21.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.104 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -97.65 146.64 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.4 tp -106.52 138.93 41.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.758 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.846 HG22 ' H ' ' A' ' 12' ' ' ALA . 30.3 p -86.53 113.9 22.82 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.725 HD12 HG11 ' A' ' 6' ' ' VAL . 15.3 pt -115.28 126.53 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 10.0 111.189 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 35.5 ttp180 -119.87 159.7 24.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.631 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.568 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 6.0 m -46.31 124.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.271 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 -19.02 35.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.069 -0.586 . . . . 10.0 113.525 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -68.63 114.35 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 10.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.548 HG22 HG12 ' A' ' 5' ' ' ILE . 23.4 pt -89.1 133.96 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.691 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.656 ' CD1' HD22 ' A' ' 42' ' ' LEU . 3.5 mm -99.72 122.62 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.089 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.53 147.41 39.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 10.0 111.727 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 42.32 62.04 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.534 -0.757 . . . . 10.0 112.697 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.52 HG12 HD22 ' A' ' 38' ' ' LEU . 3.1 t -84.67 127.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.011 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 140.66 46.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HA ' HD23 ' A' ' 38' ' ' LEU . 64.1 mmtt -59.45 133.37 56.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.123 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 36.3 tp -94.95 167.67 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.181 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 2.0 mp0 -72.0 -7.46 48.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 48.4 mt-10 -97.32 127.42 43.26 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.152 0.501 . . . . 10.0 110.586 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.625 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 29.4 tt0 -59.54 120.11 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.428 -0.806 . . . . 10.0 112.16 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' HA3' ' CE ' ' B' ' 6' ' ' LYS . . . 82.97 17.91 66.4 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 95.3 m95 -128.98 125.89 38.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.285 0.564 . . . . 10.0 111.18 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 31' ' ' LYS . 7.3 mt -116.38 151.49 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.33 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 14.5 tp10 -115.48 138.1 51.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.3 -178.45 38.47 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.47 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.17 115.94 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 10.0 111.17 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 26' ' ' ILE . 29.9 tp -132.32 129.52 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.035 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m120 60.94 29.53 19.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.277 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.95 78.32 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.887 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 45' ' ' ARG . 38.0 mtm105 -129.27 129.92 45.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 10.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -90.58 113.7 25.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.52 162.89 29.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.173 -1.013 . . . . 10.0 113.393 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 48' ' ' MET . 1.8 mpt? -90.18 150.06 22.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.616 -0.292 . . . . 10.0 110.423 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.637 ' HB2' HD13 ' A' ' 20' ' ' ILE . 12.9 p90 -152.13 153.23 30.91 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.949 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 52.9 Cg_exo -54.82 138.4 76.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.654 2.236 . . . . 10.0 112.391 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HA ' HG12 ' A' ' 54' ' ' VAL . 17.1 m-20 -79.29 -14.38 59.05 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -84.47 7.6 19.23 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' O ' HG13 ' A' ' 6' ' ' VAL . 21.3 m-85 -121.29 -17.76 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.396 . . . . 10.0 110.312 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 4.4 p -102.88 144.24 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.72 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -130.81 117.05 18.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.1 mp0 -44.24 138.93 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.591 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.704 HD13 ' N ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -74.57 127.26 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.123 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.704 ' N ' HD13 ' A' ' 57' ' ' ILE . 2.2 tpmt? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.921 . . . . 10.0 110.694 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.503 0.192 . . . . 10.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -110.27 157.72 19.16 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.685 0.278 . . . . 10.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' B' ' 14' ' ' THR . 33.9 pt -140.96 144.16 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.32 112.63 25.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.896 0.379 . . . . 10.0 111.866 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.76 144.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.486 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.426 ' CE ' ' HA3' ' A' ' 36' ' ' GLY . 54.8 mtpt -98.72 123.56 43.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.516 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.2 m -103.48 130.22 50.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -37.78 -52.72 1.29 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.49 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -47.53 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.625 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 152.16 26.38 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.526 -0.845 . . . . 10.0 113.348 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -116.51 124.87 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 112.127 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -87.37 87.81 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.171 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 13' ' ' ILE . 13.2 pt -81.78 106.8 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.498 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.7 t -80.73 152.34 28.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -148.1 147.53 29.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.016 0.436 . . . . 10.0 112.151 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.88 133.15 40.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.299 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.484 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.8 p -164.31 160.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.18 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' N ' HG22 ' B' ' 17' ' ' VAL . 11.2 pt-20 -122.25 159.15 53.43 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.493 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.01 -23.73 70.01 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.683 2.255 . . . . 10.0 112.899 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 m -91.16 -9.37 45.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.585 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.95 146.98 52.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 10.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -91.31 165.15 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.171 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 32.5 mm -72.53 -34.65 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.251 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.78 -32.05 71.39 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -72.49 -58.67 3.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.915 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.21 -32.29 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.112 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -66.02 -46.78 76.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.958 0.409 . . . . 10.0 109.983 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -58.33 -52.54 65.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.958 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -49.33 -30.05 6.98 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.658 HD12 ' OE1' ' B' ' 41' ' ' GLN . 34.4 mt -79.22 -38.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.4 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 16.9 pt20 -80.31 -0.99 39.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.874 0.369 . . . . 10.0 110.381 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -105.57 -11.12 16.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.994 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -123.4 -27.62 4.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.972 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -118.04 -13.23 10.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.613 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.3 90.04 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.809 -0.71 . . . . 10.0 113.235 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -101.52 117.15 62.53 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.562 0.181 . . . . 10.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.17 139.27 35.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.568 2.179 . . . . 10.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.71 -37.12 22.18 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.619 2.213 . . . . 10.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.92 -11.56 60.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.671 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -118.14 19.64 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.137 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.658 ' OE1' HD12 ' B' ' 30' ' ' ILE . 7.3 tt0 -118.04 103.56 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.207 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -100.87 121.23 41.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.852 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 8.4 mp -111.0 116.12 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.485 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -117.29 127.41 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD11 ' B' ' 50' ' ' LEU . 86.2 t80 -132.99 132.44 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.74 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 29.47 17.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.574 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.52 32.0 62.46 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -148.33 115.4 6.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.722 0.296 . . . . 10.0 110.698 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -57.0 131.15 48.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.112 0.482 . . . . 10.0 111.528 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' B' ' 45' ' ' PHE . 3.1 mp -80.58 122.43 27.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.272 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 53' ' ' GLY . 8.4 mm-40 -81.12 129.38 34.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.808 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.471 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.1 p30 -58.34 -5.28 0.48 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.39 11.51 58.27 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 114.585 -1.189 . . . . 10.0 114.364 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -134.35 160.74 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.246 0.523 . . . . 10.0 111.457 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 4.9 t -98.15 166.92 11.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.541 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mp -55.7 -46.22 77.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 10.0 109.917 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -49.44 -32.2 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.615 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.05 -47.41 85.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.076 0.465 . . . . 10.0 110.09 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -94.03 23.59 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.631 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.05 37.51 0.57 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.15 106.25 8.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.472 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.75 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.89 155.06 41.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.051 0.453 . . . . 10.0 111.555 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 68.81 23.87 6.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p -91.69 147.8 22.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 66' ' ' THR . 6.6 t -106.48 109.78 21.79 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 113.533 0.938 . . . . 10.0 113.533 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.534 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -89.73 157.77 17.83 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.087 177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 50' ' ' PRO . 40.5 m-70 -113.9 119.66 38.03 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.732 0.301 . . . . 10.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.07 115.21 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.362 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.463 HG13 ' O ' ' B' ' 70' ' ' VAL . 5.8 p . . . . . 0 C--N 1.334 -0.104 0 CA-C-O 121.149 0.5 . . . . 10.0 111.809 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 110.413 -0.218 . . . . 10.0 110.413 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 15.8 m-30 -109.27 167.64 9.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.458 . . . . 10.0 111.117 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.8 tt -121.91 118.75 56.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.152 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -94.84 107.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -177.243 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 17.4 mm-40 -97.37 97.38 9.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 119.175 -1.01 . . . . 10.0 109.121 177.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -178.03 -177.87 0.64 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.214 178.189 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -124.07 29.2 6.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.868 0.366 . . . . 10.0 110.869 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.438 ' HB3' HG13 ' A' ' 20' ' ' ILE . 14.4 t80 -59.6 137.29 58.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' HA ' HG23 ' A' ' 19' ' ' THR . 9.7 m-20 -118.32 135.15 54.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.389 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.52 119.61 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 t -90.04 -17.66 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.946 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.447 ' HB2' HH12 ' B' ' 42' ' ' ARG . 9.3 t-80 -132.78 170.95 14.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.291 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.17 -39.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.146 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.32 1.04 19.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.356 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -103.12 136.17 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 19' ' ' THR . 3.3 tm? -93.57 144.12 25.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.455 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.578 ' N ' HD13 ' A' ' 18' ' ' LEU . 54.4 m -89.21 114.64 25.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' A' ' 49' ' ' PHE . 28.6 pt -109.47 123.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 10.0 111.461 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -119.07 154.74 32.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.819 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 10.7 m -49.23 123.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.999 0.428 . . . . 10.0 112.057 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.81 -19.51 54.33 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.621 -0.718 . . . . 10.0 113.4 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.519 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.4 mt-10 -68.24 140.34 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 10.0 110.674 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.0 pt -111.25 127.62 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.785 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -94.08 114.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.354 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.524 HH22 ' H ' ' A' ' 44' ' ' GLY . 40.0 mtm180 -69.48 145.99 52.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.427 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 t30 39.31 69.18 0.3 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.677 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 4' ' ' TYR . 27.2 m -76.19 128.53 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.295 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -131.66 119.48 21.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.507 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -62.12 131.07 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.186 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 35.1 tp -88.25 166.37 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.465 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 10.6 mm100 -72.15 -3.19 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -102.31 133.32 47.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.64 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.578 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 22.6 tt0 -67.08 121.41 15.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.805 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 90.55 8.58 65.67 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.873 -0.68 . . . . 10.0 112.405 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CZ2' HG13 ' B' ' 70' ' ' VAL . 10.7 m95 -119.27 125.12 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 10.0 110.604 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -129.15 147.7 51.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.834 -1.173 . . . . 10.0 107.834 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.36 138.68 50.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 10.0 110.708 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.42 173.13 41.14 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.266 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 5.0 mp0 -108.91 115.71 30.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 10.0 109.965 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -137.89 136.42 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.218 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 61.81 29.39 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.751 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.524 ' H ' HH22 ' A' ' 27' ' ' ARG . . . 74.28 15.29 80.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.802 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -139.62 131.49 27.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.867 0.365 . . . . 10.0 110.614 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -87.32 131.73 34.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.38 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.42 166.56 35.36 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.509 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.3 mpp? -89.53 147.99 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 10.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' HB2' HD13 ' A' ' 20' ' ' ILE . 19.2 p90 -146.88 150.4 39.03 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.934 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 50.7 Cg_exo -54.81 129.82 37.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.694 2.262 . . . . 10.0 112.543 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.505 ' HA ' HG12 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -69.46 -20.81 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.888 -179.55 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -82.66 4.24 25.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.647 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 22.5 m-30 -118.48 -5.26 10.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 10.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 7.6 p -110.55 142.52 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.889 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -127.25 113.75 16.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 26.7 tt0 -53.29 136.59 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 10.0 112.152 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.4 mt -85.23 129.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.966 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.335 -0.841 . . . . 10.0 110.811 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.3 ptt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.532 0.206 . . . . 10.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.32 157.79 21.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 10.0 110.317 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 14' ' ' THR . 36.6 pt -140.87 145.53 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.414 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' B' ' 66' ' ' THR . 52.9 m-85 -105.09 112.6 25.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 10.0 111.612 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -95.09 139.64 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.702 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -94.19 123.17 37.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.3 m -101.84 127.34 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.943 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.571 HD23 ' H ' ' B' ' 8' ' ' LEU . 1.5 pt? -38.98 -44.42 1.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.095 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -55.66 -57.38 12.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.687 0.279 . . . . 10.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.578 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 151.07 18.59 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.402 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -109.09 135.16 50.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.113 0.483 . . . . 10.0 112.106 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.2 p -100.09 84.91 2.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.218 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 13' ' ' ILE . 19.9 pt -79.06 113.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 10.0 111.73 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.2 t -92.11 125.16 36.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.175 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 15' ' ' LEU . 5.6 mp -120.23 148.19 43.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -75.49 132.76 40.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.175 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.442 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.0 p -162.56 158.35 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 10.0 111.307 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' N ' HG22 ' B' ' 17' ' ' VAL . 8.2 mp0 -117.85 159.67 41.7 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.406 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.14 -22.52 74.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.584 2.189 . . . . 10.0 112.505 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -91.19 -9.51 45.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.566 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.24 149.19 48.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 10.0 111.028 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.484 HG22 HG22 ' B' ' 55' ' ' THR . 35.2 p -93.29 161.86 14.23 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.219 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.0 mm -68.05 -36.32 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.038 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -58.49 -37.13 74.9 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.656 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.49 -56.33 8.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.08 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -46.55 -33.12 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.131 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -66.31 -44.05 84.52 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.92 0.39 . . . . 10.0 110.348 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.68 68.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.884 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -49.08 -32.75 10.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.332 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.1 mt -76.15 -40.27 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.994 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -76.41 -5.15 46.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.366 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -102.5 -16.16 16.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.383 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -126.37 -6.02 6.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -133.29 -17.46 2.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.986 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.04 35.74 89.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.952 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HB ' HE21 ' B' ' 41' ' ' GLN . 43.2 mm -104.01 122.41 44.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.97 136.89 77.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.44 2.093 . . . . 10.0 112.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.89 -35.26 56.73 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.718 2.279 . . . . 10.0 112.137 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.0 -15.16 63.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.356 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -115.13 22.1 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.493 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.434 HE21 ' HB ' ' B' ' 36' ' ' ILE . 38.1 mt-30 -115.68 103.25 10.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.548 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.447 HH12 ' HB2' ' A' ' 14' ' ' HIS . 64.1 mtm180 -100.24 115.71 30.53 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.434 ' N ' HD12 ' B' ' 43' ' ' LEU . 7.5 mp -108.21 114.64 28.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.401 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 10.0 111.147 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -133.99 131.45 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . . . 62.55 20.7 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.916 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' B' ' 48' ' ' LYS . . . 85.15 17.45 62.78 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.183 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' B' ' 47' ' ' GLY . 2.3 mptp? -140.25 124.29 17.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.402 . . . . 10.0 111.42 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 1.8 mp0 -55.52 141.01 38.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.721 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.62 121.56 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.06 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' B' ' 53' ' ' GLY . 37.9 mt-10 -79.75 122.9 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.453 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.2 p-10 -45.82 -24.52 0.39 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.523 0.678 . . . . 10.0 109.407 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -68.8 -70.15 1.22 Allowed Glycine 0 N--CA 1.434 -1.496 0 CA-C-N 114.585 -1.189 . . . . 10.0 112.488 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -53.65 165.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.484 HG22 HG22 ' B' ' 22' ' ' THR . 41.8 p -106.94 171.79 7.17 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 114.285 -1.325 . . . . 10.0 109.843 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.88 -48.77 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 110.494 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.6 p -48.7 -30.92 6.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.817 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.09 -41.85 98.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.946 0.403 . . . . 10.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.41 ' HB2' HG13 ' B' ' 61' ' ' ILE . 51.1 m-85 -101.02 25.84 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p30 41.29 36.92 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.106 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.41 HG13 ' HB2' ' B' ' 59' ' ' TYR . 85.0 mt -76.98 103.62 4.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.838 0.351 . . . . 10.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -92.42 -178.76 5.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.401 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 7.2 ptpp? -63.28 158.26 20.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.706 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 61.54 26.27 16.03 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.401 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.4 p -89.81 143.99 26.34 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.447 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 35.7 m -105.99 108.7 20.35 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.7 mt -88.62 162.25 16.44 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.132 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -117.47 118.79 33.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.509 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.504 ' C ' HD13 ' B' ' 69' ' ' LEU . 2.8 tm? -101.2 114.23 28.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.869 0.366 . . . . 10.0 110.692 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.447 HG13 ' CZ2' ' A' ' 37' ' ' TRP . 5.7 t . . . . . 0 C--O 1.233 0.21 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.257 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.699 ' HB2' HG21 ' A' ' 29' ' ' VAL . 2.8 m-30 -108.1 160.09 16.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.577 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.11 117.02 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 107.969 -1.122 . . . . 10.0 107.969 178.344 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.695 ' HB ' HG12 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -102.86 110.62 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.072 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 45.7 mt-10 -99.42 95.97 7.38 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.379 -1.341 . . . . 10.0 107.379 175.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 34.9 t80 -176.54 167.72 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.511 -1.222 . . . . 10.0 109.261 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.46 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 t70 -108.9 106.52 16.54 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -136.79 125.87 24.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 10.0 110.863 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -110.99 132.68 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -56.7 119.51 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.3 -15.9 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.773 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB3' ' HG2' ' A' ' 17' ' ' GLU . 35.8 t60 -131.99 169.87 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.005 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.48 -45.01 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 10.0 110.764 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.09 -1.32 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' HB3' ' A' ' 14' ' ' HIS . 75.3 mm-40 -97.21 142.62 28.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 10.0 110.54 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 42' ' ' LEU . 16.6 tp -106.2 141.4 37.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.352 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.515 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 5.0 t -90.47 115.58 27.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 10.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.706 HG21 HD11 ' A' ' 26' ' ' ILE . 7.0 pt -122.34 131.66 72.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.127 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.502 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 mpt_? -117.94 160.83 20.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.536 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.3 t -49.12 123.94 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.193 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -18.17 55.43 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.85 -0.614 . . . . 10.0 113.403 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' HG3' ' H ' ' A' ' 21' ' ' ARG . 19.2 mm-40 -60.77 145.69 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 10.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 25' ' ' ILE . 12.7 tt -116.73 120.59 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.904 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 20' ' ' ILE . 13.5 mt -94.09 124.28 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.373 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -78.18 149.79 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 10.0 111.736 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 42.99 59.87 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.997 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 4' ' ' TYR . 86.2 t -80.99 122.25 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 10.0 110.41 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -125.0 127.18 46.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.5 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HA ' HD22 ' A' ' 38' ' ' LEU . 63.9 mttm -65.68 122.26 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.09 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -84.33 178.08 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.234 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -73.63 -16.44 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.723 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -83.77 126.26 32.74 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.144 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.04 124.38 22.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.904 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 83.98 8.0 84.69 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.407 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -129.52 125.22 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 10.0 111.137 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD12 HG21 ' A' ' 54' ' ' VAL . 4.3 mt -122.74 162.03 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.315 -0.857 . . . . 10.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -116.04 139.33 50.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.08 177.77 40.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.485 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -111.08 116.44 31.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 10.0 110.781 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 43' ' ' ASN . 2.2 tm? -133.28 129.1 37.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.861 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.616 ' N ' HD13 ' A' ' 42' ' ' LEU . 60.4 t30 61.95 31.93 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.01 19.08 79.8 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.334 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -136.28 129.96 32.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 10.0 110.717 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -88.67 123.88 33.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.212 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.25 165.9 32.97 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.901 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 2.0 mpt? -85.65 148.16 26.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 4.2 p90 -147.68 156.08 44.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.955 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HG2' ' CD2' ' A' ' 53' ' ' PHE . 41.5 Cg_endo -66.7 141.66 60.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 10.0 112.394 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' HG22 ' A' ' 54' ' ' VAL . 12.7 t70 -73.59 -34.08 64.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.294 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -70.29 0.5 6.3 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CE2' ' A' ' 8' ' ' TYR . 12.4 m-30 -110.23 -24.32 10.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 10.0 109.961 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.695 HG12 ' HB ' ' A' ' 6' ' ' VAL . 25.4 m -103.17 149.39 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.372 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.28 106.49 8.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.406 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.48 122.83 7.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 57' ' ' ILE . 4.9 tp -122.43 101.09 9.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.388 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.014 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.468 0.175 . . . . 10.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -115.15 158.97 21.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.658 0.266 . . . . 10.0 110.322 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 14' ' ' THR . 42.9 pt -140.02 144.72 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.844 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HB3' ' CG2' ' B' ' 12' ' ' THR . 30.0 m-85 -99.7 110.11 22.53 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.457 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.45 104.39 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.52 136.87 56.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.721 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.3 p -118.35 150.46 39.48 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -48.2 -54.54 13.13 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -46.78 -42.01 16.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.843 0.354 . . . . 10.0 110.67 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.21 2.89 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.972 -0.632 . . . . 10.0 113.385 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -109.96 109.94 20.71 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.062 0.431 . . . . 10.0 111.465 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' B' ' 4' ' ' PHE . 41.4 m -74.26 93.5 2.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.097 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -87.52 110.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.724 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 72.4 p -79.8 154.64 28.32 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' B' ' 29' ' ' LYS . 43.8 tp -149.65 143.53 25.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.68 123.63 26.91 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.585 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -155.03 157.61 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.76 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' B' ' 18' ' ' GLU . 1.6 pm0 -117.08 159.75 39.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.214 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.03 -27.3 84.63 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.556 2.171 . . . . 10.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -86.4 -3.82 59.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.45 145.78 45.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.11 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 26.0 p -90.37 163.8 14.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.72 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 27.1 mm -71.44 -34.94 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.03 -31.34 71.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.176 0.512 . . . . 10.0 109.624 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -46.27 -32.53 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.448 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -72.82 -40.62 65.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.811 0.339 . . . . 10.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.8 -0.25 20.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.673 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HB2' HD21 ' B' ' 15' ' ' LEU . 98.2 mttt -101.3 -20.75 15.09 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.1 -32.28 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.056 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.432 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 57.3 tt0 -76.61 -7.61 55.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.987 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.97 -13.66 16.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.327 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.4 -18.57 7.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.287 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -125.28 -20.61 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.95 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.99 64.23 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.081 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mt -93.27 121.1 66.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.607 0.203 . . . . 10.0 110.719 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.12 128.6 30.41 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.611 2.207 . . . . 10.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 50.9 Cg_exo -55.98 -37.62 95.86 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.779 2.319 . . . . 10.0 112.452 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.15 -5.41 13.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -126.61 20.32 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -115.06 104.94 12.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.914 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -95.34 111.9 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.2 mt -101.78 103.21 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 10.0 111.714 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.684 HG22 ' N ' ' B' ' 45' ' ' PHE . 4.0 mp -83.38 173.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.368 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.684 ' N ' HG22 ' B' ' 44' ' ' ILE . 73.8 t80 176.25 116.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.32 28.03 5.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.675 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.23 44.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.825 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' B' ' 48' ' ' LYS . 3.3 mmmp? -149.74 117.7 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.715 0.293 . . . . 10.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.6 142.55 33.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.109 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' B' ' 45' ' ' PHE . 2.4 mp -90.59 115.65 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.486 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.529 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 26.7 tt0 -75.01 127.79 34.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.424 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.6 m-20 -58.49 -5.81 0.59 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.529 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -102.44 14.34 56.64 Favored Glycine 0 N--CA 1.43 -1.724 0 CA-C-N 114.623 -1.171 . . . . 10.0 114.479 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -134.08 161.13 35.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.108 0.454 . . . . 10.0 111.066 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 64.5 p -100.27 167.23 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.284 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.07 -48.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 10.0 109.959 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.8 m -48.65 -31.83 7.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.564 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.75 -57.43 12.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.992 0.425 . . . . 10.0 110.113 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -86.57 17.01 4.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.1 t30 48.54 46.25 20.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.737 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' B' ' 45' ' ' PHE . 33.1 mt -82.48 105.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -90.39 -175.55 4.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.42 157.65 35.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 61.19 25.47 15.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.623 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -87.16 141.99 28.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.614 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 59.6 p -102.44 106.69 17.48 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 67' ' ' LEU . 5.9 mp -99.12 131.05 45.44 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.377 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -89.19 136.48 33.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 10.0 111.055 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.454 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.9 tt -114.82 122.91 47.81 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.829 179.769 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 57' ' ' ILE . 30.7 t70 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.683 0.278 . . . . 10.0 110.28 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.76 ' HB2' HG21 ' A' ' 29' ' ' VAL . 8.6 m-85 -136.03 167.13 21.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.411 0.624 . . . . 10.0 111.609 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.71 117.5 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.676 HG21 HD12 ' A' ' 20' ' ' ILE . 7.7 p -99.92 107.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -177.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.4 tt0 -98.85 98.44 9.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.396 -0.922 . . . . 10.0 108.991 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CG ' ' CD2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 10.0 109.456 178.665 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.9 23.21 12.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.826 0.346 . . . . 10.0 110.91 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 15.7 t80 -53.2 130.49 34.7 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.12 128.81 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.32 119.46 5.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.934 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG23 ' ND1' ' A' ' 14' ' ' HIS . 3.0 m -102.37 4.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.489 ' ND1' HG23 ' A' ' 13' ' ' VAL . 63.2 m80 -153.29 172.85 16.38 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.49 -48.23 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -74.09 0.95 12.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.717 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 135.92 42.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.725 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.57 145.89 27.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.795 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -89.67 114.19 25.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 6' ' ' VAL . 10.3 pt -108.74 125.5 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.795 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -113.12 149.68 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.551 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.603 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 33.4 m -47.01 124.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -12.87 61.29 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.718 -0.674 . . . . 10.0 113.5 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.603 ' HG2' HD11 ' A' ' 42' ' ' LEU . 10.8 tp10 -60.5 151.22 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 10.0 110.486 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.96 121.33 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.514 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 49' ' ' PHE . 20.2 mt -101.5 119.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -76.08 144.64 40.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 10.0 112.008 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 46.6 61.14 2.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.471 -0.786 . . . . 10.0 113.094 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.76 HG21 ' HB2' ' A' ' 4' ' ' TYR . 87.4 t -81.84 121.67 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.197 -0.298 . . . . 10.0 110.197 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -127.74 143.95 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.849 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -77.01 131.09 38.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 39' ' ' GLU . 4.0 mm? -92.47 179.69 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.182 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -74.05 -13.87 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 4.0 mm-40 -93.98 129.58 40.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 128.13 34.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.157 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 80.32 12.38 83.19 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.863 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.4 m95 -120.39 124.48 45.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.351 . . . . 10.0 110.43 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 30.0 mt -126.88 151.12 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.569 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 14.6 tp10 -115.35 138.69 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.26 178.95 38.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.091 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -111.47 115.72 29.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.881 0.372 . . . . 10.0 110.357 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.3 tt -134.59 129.12 34.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.691 ' N ' HD23 ' A' ' 42' ' ' LEU . 64.5 t30 61.32 29.58 18.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.59 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.52 -15.2 42.32 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.707 -0.758 . . . . 10.0 113.414 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 4.8 tpm_? -110.7 130.06 55.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 10.0 110.527 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -89.3 131.04 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.948 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.44 167.6 33.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.411 -0.899 . . . . 10.0 113.246 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 39' ' ' GLU . 24.4 mmt -85.3 146.92 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.292 . . . . 10.0 110.432 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 54' ' ' VAL . 3.4 p90 -147.99 152.68 40.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.311 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 35.1 Cg_exo -59.78 137.8 78.96 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.774 2.316 . . . . 10.0 112.605 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 53' ' ' PHE . 5.7 p-10 -68.31 -41.34 81.03 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -70.27 14.22 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 2.4 m-85 -118.65 -28.64 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.7 t -103.19 149.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.226 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -134.81 131.73 37.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.421 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -49.86 137.72 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.126 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.607 HG22 ' O ' ' A' ' 3' ' ' ASP . 17.7 tt -78.02 130.72 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.387 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.339 -0.839 . . . . 10.0 110.665 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.544 0.211 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -115.13 158.02 22.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.444 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' B' ' 14' ' ' THR . 41.4 pt -141.93 143.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.79 113.25 26.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.824 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.9 t -94.03 142.03 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.839 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -95.35 122.17 37.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.367 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' B' ' 8' ' ' LEU . 62.2 m -103.54 129.89 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.73 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 82.3 mt -34.79 -64.35 0.26 Allowed 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.893 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.2 m -37.78 -60.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.219 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.5 22.94 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.426 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -111.47 120.62 42.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -84.58 86.75 7.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.579 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mm -82.3 109.21 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.695 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 50.5 m -81.24 151.98 27.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.574 -0.898 . . . . 10.0 108.574 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.403 HD11 HD11 ' B' ' 3' ' ' ILE . 4.2 pp -147.72 147.46 29.95 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.22 130.54 39.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.592 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.414 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.1 p -164.24 157.44 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.941 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG22 ' B' ' 17' ' ' VAL . 7.5 mp0 -119.7 161.15 39.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.306 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.65 -24.44 75.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.572 2.181 . . . . 10.0 112.772 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -88.35 -10.35 49.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.684 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.33 147.44 51.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 111.183 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -90.74 165.75 13.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 36.2 mm -72.68 -38.55 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.955 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -56.3 -35.93 68.1 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.308 0.575 . . . . 10.0 109.527 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -68.71 -58.15 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.01 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -45.74 -33.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.542 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.24 -46.35 77.43 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.996 0.427 . . . . 10.0 110.02 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.85 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.989 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -49.65 -30.34 8.84 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.519 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -81.44 -36.03 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 10.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -77.74 -6.02 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.122 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.17 -6.87 17.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.2 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -125.69 -21.42 4.45 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.185 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -125.81 -13.99 6.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.092 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.08 34.15 80.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.26 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.2 mt -99.96 120.97 55.62 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.24 135.55 69.45 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.5 2.133 . . . . 10.0 112.395 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.58 -36.27 54.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.629 2.22 . . . . 10.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.24 -4.88 19.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.63 19.73 7.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.946 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.31 100.76 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -97.06 117.53 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.766 HD12 HD22 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -110.65 118.2 35.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.307 -179.027 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.52 ' N ' HD13 ' B' ' 43' ' ' LEU . 11.0 mm -121.67 128.81 75.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' B' ' 50' ' ' LEU . 74.2 t80 -134.51 135.03 42.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.906 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.18 23.73 12.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.902 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.99 35.33 35.18 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.765 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -157.47 120.11 3.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.415 ' HA ' HD13 ' B' ' 44' ' ' ILE . 14.7 pt20 -54.54 141.37 31.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.264 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.766 HD22 HD12 ' B' ' 43' ' ' LEU . 7.3 mp -91.13 119.29 31.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.57 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 53' ' ' GLY . 0.5 OUTLIER -79.47 129.47 34.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.314 -178.825 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.479 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.8 m-20 -57.65 -7.67 0.72 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -99.63 11.31 61.17 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 114.755 -1.111 . . . . 10.0 114.332 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.518 ' HE ' ' CG ' ' B' ' 58' ' ' ASP . 27.1 mmm180 -134.54 162.18 33.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.162 0.481 . . . . 10.0 111.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 46.8 p -100.12 168.51 9.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.595 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.62 -45.25 85.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.073 0.463 . . . . 10.0 110.134 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.6 p -50.56 -31.68 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.433 -0.803 . . . . 10.0 111.864 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.518 ' CG ' ' HE ' ' B' ' 54' ' ' ARG . 39.0 t70 -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 110.504 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -99.7 23.4 9.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.497 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.9 m120 41.93 36.92 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.24 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -78.46 105.59 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 10.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -92.12 -175.06 3.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.8 159.05 28.88 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.864 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 58.41 29.6 18.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.423 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -70.59 -159.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.969 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -160.04 88.17 0.81 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.09 0.471 . . . . 10.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' B' ' 43' ' ' LEU . 25.1 mt -79.78 157.51 27.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.23 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -117.24 115.8 26.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.889 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 tt -101.37 113.54 26.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 10.0 111.013 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.41 ' HA ' HD21 ' B' ' 8' ' ' LEU . 19.2 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.801 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 110.267 -0.271 . . . . 10.0 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 5.6 m-85 -120.91 160.52 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.371 0.605 . . . . 10.0 112.234 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.634 HG23 HG21 ' A' ' 57' ' ' ILE . 3.5 pt -120.04 117.95 55.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.931 HG12 HG12 ' A' ' 54' ' ' VAL . 4.8 m -99.8 106.12 18.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 12.0 mm-40 -103.26 95.63 6.23 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 118.775 -1.17 . . . . 10.0 108.354 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.423 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -179.06 178.81 0.71 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.488 178.811 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 8.2 p-10 -117.25 103.77 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 73.0 t80 -128.54 121.26 28.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.392 . . . . 10.0 111.498 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -101.19 117.55 35.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.341 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 118.67 3.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 10.0 110.64 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.445 HG23 ' ND1' ' A' ' 14' ' ' HIS . 6.6 m -88.16 -10.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.049 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.445 ' ND1' HG23 ' A' ' 13' ' ' VAL . 65.0 m80 -148.18 172.44 14.31 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.544 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.82 -43.45 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.58 -9.48 58.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.25 138.63 31.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.727 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 42' ' ' LEU . 21.9 tp -101.85 134.58 44.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.379 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.562 ' O ' HD23 ' A' ' 42' ' ' LEU . 7.7 t -86.19 114.62 23.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.764 ' HB ' HG21 ' A' ' 6' ' ' VAL . 29.2 pt -110.67 120.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -115.51 154.14 29.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.604 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.8 t -47.06 123.83 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.32 -17.36 57.48 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.787 -0.642 . . . . 10.0 114.023 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -71.72 122.2 20.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 10.0 111.386 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.463 HG12 HG22 ' A' ' 5' ' ' ILE . 20.5 mt -91.15 127.16 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.068 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.692 ' CD1' HD22 ' A' ' 42' ' ' LEU . 3.5 mm -96.44 124.28 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 28' ' ' ASN . 6.0 mmp_? -47.98 157.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.351 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 27' ' ' ARG . 19.7 p-10 -20.61 104.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.735 0.647 . . . . 10.0 111.714 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 3.0 m -89.43 150.08 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.735 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -127.87 127.93 44.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.395 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -59.37 130.8 48.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.525 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.607 HD11 ' SD ' ' A' ' 48' ' ' MET . 44.6 mt -91.37 172.41 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.671 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -74.16 -7.25 51.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.367 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' B' ' 8' ' ' LEU . 57.4 mt-10 -100.45 130.33 46.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 19.2 tt0 -63.66 125.36 24.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.428 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 84.65 8.87 82.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.011 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.4 m0 -123.06 124.92 44.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 10.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 37' ' ' TRP . 9.1 mp -122.41 155.98 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.262 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.507 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tm-20 -115.97 138.63 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.66 174.64 40.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.018 -0.611 . . . . 10.0 111.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 6.0 mp0 -111.88 116.45 30.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 10.0 110.993 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.692 HD22 ' CD1' ' A' ' 26' ' ' ILE . 54.8 tp -134.8 133.39 39.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.022 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 62.04 29.46 17.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.613 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.69 -5.23 65.64 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.691 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -113.76 130.14 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.879 0.339 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.7 129.74 36.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.17 174.05 36.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.181 -1.009 . . . . 10.0 113.443 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.607 ' SD ' HD11 ' A' ' 32' ' ' LEU . 5.9 mmt -92.41 146.88 23.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.65 -0.275 . . . . 10.0 110.362 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CD1' HG11 ' A' ' 54' ' ' VAL . 10.8 p90 -148.1 148.29 29.1 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.431 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 47.4 Cg_exo -57.6 140.57 93.82 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.715 2.277 . . . . 10.0 112.251 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.34 -34.36 70.44 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.05 8.98 1.33 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 18.9 m-30 -122.37 -1.82 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.0 0.429 . . . . 10.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.931 HG12 HG12 ' A' ' 6' ' ' VAL . 5.1 m -127.17 146.68 32.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -128.56 125.2 37.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.284 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . 42.0 tt0 -61.19 125.31 23.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.041 0.385 . . . . 10.0 112.041 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.634 HG21 HG23 ' A' ' 5' ' ' ILE . 4.8 tp -123.32 109.49 23.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.452 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.76 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.519 0.2 . . . . 10.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -108.91 157.52 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.506 HD13 HG11 ' B' ' 17' ' ' VAL . 25.7 pt -144.68 139.9 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 10.0 111.637 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -81.88 159.7 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' B' ' 13' ' ' ILE . 55.4 t -150.62 94.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 10.0 111.106 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -54.92 124.65 17.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.542 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -107.14 130.32 54.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.441 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 96.7 mt -38.87 -50.26 1.7 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.813 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -50.96 -60.44 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 10.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 157.51 7.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.666 -0.778 . . . . 10.0 113.039 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -86.97 157.86 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 10.0 111.537 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.3 m -96.64 -38.25 10.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.032 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.457 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.6 pt 38.61 87.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 3' ' ' ILE . 95.0 m -96.9 113.57 25.12 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.195 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.634 ' H ' HD23 ' B' ' 15' ' ' LEU . 2.5 pt? -107.2 158.24 17.26 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.85 136.09 37.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.842 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.506 HG11 HD13 ' B' ' 3' ' ' ILE . 7.9 p -165.2 160.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.09 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.433 ' N ' HG22 ' B' ' 17' ' ' VAL . 18.0 mt-10 -118.9 162.7 29.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.079 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -62.04 -27.58 79.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 10.0 112.3 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -85.8 -9.45 57.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.838 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -70.4 149.0 47.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.724 0.297 . . . . 10.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -92.16 166.63 12.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.088 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.514 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.3 mm -73.63 -34.28 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.25 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.64 -33.42 73.9 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -71.57 -55.66 7.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.033 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.455 ' O ' HG12 ' B' ' 30' ' ' ILE . 24.6 t -46.96 -33.15 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.26 -0.882 . . . . 10.0 111.33 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -73.54 -32.36 64.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.887 0.375 . . . . 10.0 110.717 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' B' ' 31' ' ' GLN . . . -82.02 -1.87 49.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.93 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -99.3 -20.71 16.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 36' ' ' ILE . 20.0 mm -87.21 -34.23 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.049 -0.978 . . . . 10.0 109.112 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HG3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -77.97 -4.58 47.7 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.084 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.04 -10.91 15.78 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -125.76 -12.62 6.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.483 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -133.08 -16.42 2.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.739 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 36.32 87.0 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.527 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 30' ' ' ILE . 14.0 tt -102.61 120.22 53.58 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.745 0.272 . . . . 10.0 110.514 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 58.2 Cg_exo -52.41 132.8 46.27 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.568 2.179 . . . . 10.0 112.611 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.8 Cg_exo -60.92 -36.8 81.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.635 2.224 . . . . 10.0 111.993 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.42 -14.58 61.24 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -104.4 -28.06 11.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.365 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.61 111.3 5.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.871 . . . . 10.0 112.985 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' B' ' 44' ' ' ILE . 26.6 ttm-85 -110.64 119.1 38.03 Favored 'General case' 0 C--N 1.334 -0.074 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.12 126.3 53.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' B' ' 42' ' ' ARG . 4.4 mp -127.21 127.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.694 0.283 . . . . 10.0 110.517 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -132.91 133.92 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.05 22.38 11.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.547 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 82.13 21.98 59.93 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.491 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -141.03 119.18 12.01 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.948 0.404 . . . . 10.0 111.131 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.47 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 22.5 mp0 -57.56 130.97 48.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.537 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 50' ' ' LEU . 5.3 mp -80.07 123.84 28.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.917 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' B' ' 53' ' ' GLY . 7.2 mm-40 -82.71 130.52 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.969 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.514 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.4 p-10 -57.91 -5.39 0.42 Allowed 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.51 11.53 58.1 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 114.57 -1.196 . . . . 10.0 114.461 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.62 -171.81 2.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.156 0.478 . . . . 10.0 111.371 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.521 ' C ' ' H ' ' B' ' 57' ' ' SER . 25.2 p -129.93 160.18 34.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.768 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.443 ' N ' HD12 ' B' ' 56' ' ' LEU . 7.2 mp -67.11 12.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.521 ' H ' ' C ' ' B' ' 55' ' ' THR . 81.3 p -108.31 -27.9 9.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.09 -36.84 82.86 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.15 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -100.28 20.08 15.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.428 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 t30 43.1 41.19 2.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -81.31 104.89 10.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.781 0.324 . . . . 10.0 111.451 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -91.05 -177.14 4.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.197 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 53.0 tttm -66.77 159.79 27.22 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.67 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' B' ' 63' ' ' LYS . 41.9 mt-10 58.67 28.42 17.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.381 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -96.3 147.5 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.355 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -87.2 155.21 20.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.237 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' B' ' 3' ' ' ILE . 97.1 mt -148.41 113.01 5.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -77.09 124.22 27.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 tp -108.87 116.05 31.24 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.554 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-O 120.968 0.413 . . . . 10.0 111.891 -178.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 57' ' ' ILE . 6.6 m-20 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.716 0.293 . . . . 10.0 110.37 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.678 ' HB2' HG21 ' A' ' 29' ' ' VAL . 6.0 m-85 -130.35 164.67 24.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 110.972 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.408 HD11 ' HA2' ' A' ' 23' ' ' GLY . 1.8 tp -119.52 116.39 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 20' ' ' ILE . 8.4 t -99.64 105.46 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 44.1 tt0 -102.39 95.71 6.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 107.842 -1.169 . . . . 10.0 107.842 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.518 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -176.82 163.06 2.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.297 -1.319 . . . . 10.0 109.594 178.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -115.42 111.97 21.61 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' HB3' HG13 ' A' ' 20' ' ' ILE . 9.4 t80 -142.43 132.74 24.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.954 0.407 . . . . 10.0 111.18 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -103.54 121.8 43.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.363 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.0 119.07 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.089 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' ND1' ' A' ' 14' ' ' HIS . 33.1 m -100.03 -19.7 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.537 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 50.9 m80 -118.86 162.19 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.31 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.55 -35.3 78.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.426 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -85.9 7.41 24.26 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.892 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 11.0 mm-40 -105.2 136.17 45.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.054 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 42' ' ' LEU . 17.6 tp -100.23 146.71 26.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.446 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.5 m -88.68 114.09 24.93 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.714 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.1 pp -111.6 132.06 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -120.81 149.62 42.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.175 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.0 m -48.12 123.86 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 5' ' ' ILE . . . 97.31 -21.29 46.96 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.638 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.29 120.84 19.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.864 0.332 . . . . 10.0 111.46 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.712 HD13 ' H ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -91.96 131.89 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.866 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 29' ' ' VAL . 50.1 mt -98.67 126.95 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.572 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -77.7 144.45 37.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 10.0 111.862 -179.122 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 53.19 50.97 16.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.208 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 4' ' ' TYR . 65.8 t -78.74 115.26 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.46 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -129.54 140.57 51.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -75.45 127.02 32.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 39' ' ' GLU . 3.7 mm? -86.44 -178.42 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.483 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 4.9 pm0 -81.25 0.1 38.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.142 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.18 132.17 46.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 24.2 tt0 -68.16 121.76 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.66 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.89 10.61 80.7 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.944 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' HG2' ' A' ' 48' ' ' MET . 0.1 OUTLIER -125.04 124.64 42.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 10.0 110.786 179.771 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 48' ' ' MET . 19.7 mt -127.09 151.81 48.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' HD21 ' A' ' 32' ' ' LEU . 39.0 tt0 -115.31 142.64 46.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 10.0 110.718 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -167.97 -177.79 39.47 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.772 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.15 116.31 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.967 0.413 . . . . 10.0 110.646 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' CB ' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -132.66 130.9 40.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.847 179.558 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.521 ' N ' HD23 ' A' ' 42' ' ' LEU . 88.0 m-20 59.71 29.34 18.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.671 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.1 -19.44 22.1 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.3 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -98.42 130.38 45.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.388 . . . . 10.0 111.439 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -91.7 122.63 34.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.395 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.72 166.79 32.98 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.984 . . . . 10.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 11.3 tpp -83.91 147.58 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.609 -0.295 . . . . 10.0 110.359 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.486 ' CD1' HG11 ' A' ' 54' ' ' VAL . 2.7 p90 -146.5 155.28 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.83 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 24.6 Cg_exo -62.66 137.31 63.13 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.487 2.124 . . . . 10.0 112.228 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.41 -38.11 84.12 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.13 13.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.603 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 3.3 m-85 -117.54 -25.74 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.978 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 HG22 ' A' ' 6' ' ' VAL . 3.2 m -102.03 150.36 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.7 123.69 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.976 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 11.3 pt-20 -44.72 137.15 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 10.0 111.709 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 3' ' ' ASP . 8.4 tp -76.12 129.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -0.816 . . . . 10.0 110.638 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.604 0.24 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.73 156.91 19.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.3 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.496 ' O ' HG23 ' B' ' 14' ' ' THR . 32.2 pt -120.02 -160.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.3 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -159.16 94.04 1.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.102 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.54 136.38 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.528 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -97.06 120.97 38.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.036 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.8 p -103.7 131.47 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.65 0.262 . . . . 10.0 110.91 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -38.12 -52.5 1.43 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -44.23 -58.16 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.244 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.564 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.71 25.33 0.1 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.782 -0.723 . . . . 10.0 113.104 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.51 132.89 56.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.3 p -94.64 82.47 3.96 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 13' ' ' ILE . 16.7 pt -80.06 106.71 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-O 121.489 0.661 . . . . 10.0 111.219 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' B' ' 3' ' ' ILE . 18.4 m -79.55 158.63 27.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 107.686 -1.227 . . . . 10.0 107.686 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.718 HD21 ' HB2' ' B' ' 29' ' ' LYS . 42.9 tp -152.75 146.89 25.46 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.188 0.449 . . . . 10.0 112.01 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -75.2 134.49 41.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.282 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.505 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.2 p -166.33 163.32 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.937 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.505 ' N ' HG22 ' B' ' 17' ' ' VAL . 29.4 mt-10 -126.2 159.36 62.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.239 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.32 -26.85 72.63 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.368 2.045 . . . . 10.0 112.66 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -86.31 -15.28 41.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.898 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 143.52 57.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.878 0.37 . . . . 10.0 111.536 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -86.51 163.94 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.65 HD13 ' HB3' ' B' ' 50' ' ' LEU . 44.8 mt -72.92 -32.74 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.509 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.6 -30.67 71.75 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.289 0.566 . . . . 10.0 109.514 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.94 -56.95 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.188 -0.914 . . . . 10.0 108.72 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 71.6 t -45.91 -33.85 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.07 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -66.79 -45.52 78.16 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.494 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -56.11 -51.86 66.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.324 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.718 ' HB2' HD21 ' B' ' 15' ' ' LEU . 32.0 mmmt -51.6 -31.85 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.91 . . . . 10.0 112.244 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.572 ' HB ' HE22 ' B' ' 41' ' ' GLN . 29.3 mm -75.83 -40.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.494 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 3.6 pt20 -77.58 -0.86 28.03 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.692 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -108.77 -5.09 16.44 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -133.01 -10.32 3.0 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.076 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.467 ' CG ' HD13 ' B' ' 36' ' ' ILE . 26.5 tt0 -135.18 -18.47 1.77 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.49 32.44 64.74 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.528 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.467 HD13 ' CG ' ' B' ' 34' ' ' GLU . 1.5 mp -100.21 116.62 64.31 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.886 0.343 . . . . 10.0 110.773 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.6 Cg_exo -52.16 132.92 45.47 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.81 2.34 . . . . 10.0 112.811 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.9 Cg_exo -59.26 -38.97 82.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.807 2.338 . . . . 10.0 112.328 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.35 2.83 3.4 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.162 0.506 . . . . 10.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -134.61 19.78 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.284 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.572 HE22 ' HB ' ' B' ' 30' ' ' ILE . 8.5 tt0 -118.94 100.62 7.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.893 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 14' ' ' HIS . 20.9 mmt180 -96.34 122.88 39.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.734 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.64 121.95 46.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.158 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mt -122.68 128.55 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.314 . . . . 10.0 110.649 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -134.22 131.19 38.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.74 9.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.991 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.15 31.29 31.95 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.569 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.72 115.18 4.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 10.0 110.725 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -53.75 135.59 41.16 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' B' ' 23' ' ' ILE . 86.7 mt -84.59 119.18 24.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.587 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -77.11 123.29 26.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.192 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.09 -19.63 0.08 Allowed 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.864 0.84 . . . . 10.0 108.766 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.544 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -65.97 -74.1 0.55 Allowed Glycine 0 N--CA 1.422 -2.278 0 CA-C-N 113.854 -1.521 . . . . 10.0 112.818 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -58.29 168.89 0.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.2 t -105.04 176.19 5.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 113.863 -1.517 . . . . 10.0 109.979 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.24 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 10.0 110.397 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -50.73 -32.64 20.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.703 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.28 -52.01 67.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.096 0.474 . . . . 10.0 109.972 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -89.56 25.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.935 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 39.6 35.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.881 -0.599 . . . . 10.0 112.226 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -74.67 108.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -94.14 -177.68 4.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -69.05 157.08 37.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.126 0.489 . . . . 10.0 111.859 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.49 26.2 15.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.305 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 t -95.54 148.97 21.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.401 ' C ' HD12 ' B' ' 67' ' ' LEU . 10.2 t -87.49 153.81 21.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.663 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.401 HD12 ' C ' ' B' ' 66' ' ' THR . 5.5 mp -145.46 110.37 5.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -74.09 118.22 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.471 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.0 tt -103.15 112.91 25.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.398 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.596 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 57' ' ' ILE . 5.1 p-10 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.829 0.347 . . . . 10.0 110.622 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.763 ' HB2' HG21 ' A' ' 29' ' ' VAL . 5.0 m-85 -130.37 165.7 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 tp -120.75 117.13 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.32 -1.363 . . . . 10.0 107.32 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.655 HG22 HG12 ' A' ' 54' ' ' VAL . 15.4 t -102.69 105.29 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 N-CA-C 112.806 0.669 . . . . 10.0 112.806 -176.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 42.3 mt-10 -102.66 95.62 6.33 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.434 -1.321 . . . . 10.0 107.434 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -177.33 168.99 2.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.334 -1.303 . . . . 10.0 109.492 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 9.5 m-20 -117.57 110.54 18.06 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB3' HG12 ' A' ' 20' ' ' ILE . 33.3 t80 -140.81 133.16 28.3 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.03 0.443 . . . . 10.0 111.453 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.02 125.74 51.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.14 119.58 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.23 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 t -85.96 -16.62 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.009 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -139.68 172.66 12.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.326 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.37 -44.1 68.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.929 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.5 -1.67 3.84 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.794 0.33 . . . . 10.0 110.499 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -106.37 136.19 46.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.07 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' HA ' HH21 ' A' ' 45' ' ' ARG . 0.5 OUTLIER -98.61 143.92 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.522 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -89.73 114.64 26.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.549 HD12 HG11 ' A' ' 6' ' ' VAL . 2.1 pt -114.18 129.54 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.636 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -117.55 154.31 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.35 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 52.8 t -48.54 123.59 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.234 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.03 -17.81 58.61 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.032 -0.604 . . . . 10.0 113.529 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 118.75 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 10.0 111.234 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 pt -91.92 133.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.295 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 34.9 mt -99.6 127.21 52.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.597 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -71.99 145.7 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.713 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 40.77 63.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.539 -0.755 . . . . 10.0 113.034 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.763 HG21 ' HB2' ' A' ' 4' ' ' TYR . 54.1 t -83.79 124.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 10.0 110.484 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -131.33 140.8 49.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.637 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 31' ' ' LYS . 2.4 mppt? -67.45 133.2 49.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.989 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 34.0 tp -89.54 170.5 10.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.369 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.445 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 12.8 mm100 -74.16 -1.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.403 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.0 135.53 48.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.727 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.615 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 18.5 tt0 -65.55 120.18 12.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.22 13.35 68.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.424 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CZ2' HG12 ' B' ' 70' ' ' VAL . 70.1 m95 -122.74 125.22 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 10.0 110.804 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -130.62 150.85 51.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.038 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.79 140.42 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.792 0.329 . . . . 10.0 110.656 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -165.83 -179.47 39.44 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.683 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.87 116.28 27.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 10.0 110.648 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.16 134.66 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 61.65 29.26 18.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.99 16.55 80.6 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.019 -0.61 . . . . 10.0 113.658 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.446 HH21 ' HA ' ' A' ' 18' ' ' LEU . 51.5 ttp85 -138.55 133.66 32.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.722 0.296 . . . . 10.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 16.9 ptm180 -87.96 123.83 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 161.37 29.28 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.762 -0.732 . . . . 10.0 112.833 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -85.43 146.86 26.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 10.0 110.319 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.663 ' CD1' HG11 ' A' ' 54' ' ' VAL . 1.4 p90 -141.9 157.38 64.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.411 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 15.5 Cg_exo -67.96 136.37 37.97 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.641 2.227 . . . . 10.0 111.925 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.13 -35.96 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -73.66 15.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' O ' HG13 ' A' ' 6' ' ' VAL . 4.6 m-85 -123.9 -28.74 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.159 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.663 HG11 ' CD1' ' A' ' 49' ' ' PHE . 4.4 m -102.69 147.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.812 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -132.4 127.27 35.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.293 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -44.18 139.59 2.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.372 . . . . 10.0 111.641 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 3' ' ' ASP . 10.5 tp -73.83 128.08 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.46 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.793 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.481 0.182 . . . . 10.0 111.069 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -110.32 156.03 21.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.83 0.348 . . . . 10.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.733 ' O ' HD12 ' B' ' 3' ' ' ILE . 2.1 pp -140.16 145.0 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.474 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -102.88 114.96 29.67 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.14 141.83 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.479 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.38 119.3 36.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.435 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -100.19 130.86 46.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.862 0.363 . . . . 10.0 111.528 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.773 ' H ' HD12 ' B' ' 8' ' ' LEU . 2.3 mp -40.53 -47.96 2.76 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 10.0 112.153 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 m -53.87 -53.42 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 10.0 110.771 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.615 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 144.04 22.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.111 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -112.59 129.01 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 10.0 111.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -95.73 89.28 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.507 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 mm -86.84 109.58 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.314 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 1.9 t -96.09 111.95 23.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.484 ' N ' HD12 ' B' ' 15' ' ' LEU . 5.0 mp -103.16 160.0 15.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -78.12 138.84 38.93 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.4 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.454 HG22 ' N ' ' B' ' 18' ' ' GLU . 10.8 p -166.16 159.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 10.0 111.427 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.454 ' N ' HG22 ' B' ' 17' ' ' VAL . 35.9 mt-10 -119.92 158.33 50.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.18 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' B' ' 18' ' ' GLU . 18.1 Cg_endo -59.62 -26.82 83.31 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.421 2.08 . . . . 10.0 112.334 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -86.86 -9.59 55.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.614 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.44 146.88 52.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 10.0 111.208 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.1 p -89.61 166.05 13.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.142 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 26.1 mm -74.98 -34.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.866 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.11 -35.74 75.91 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.81 -60.09 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.286 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.446 HG12 ' O ' ' B' ' 23' ' ' ILE . 0.3 OUTLIER -44.98 -29.49 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.073 178.606 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.68 -44.8 76.92 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.14 50.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -47.58 -30.9 3.95 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.3 mm -76.64 -39.9 32.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.889 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -79.42 -1.58 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -108.92 -11.24 15.02 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.114 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -130.31 -2.98 4.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.141 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' B' ' 36' ' ' ILE . 18.6 tt0 -138.03 -21.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.527 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.51 27.97 66.54 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 121.151 -0.547 . . . . 10.0 113.483 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.487 HD13 ' HG2' ' B' ' 34' ' ' GLU . 1.6 mp -98.4 120.3 59.69 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.797 0.298 . . . . 10.0 110.758 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.24 139.72 62.89 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.626 2.218 . . . . 10.0 112.225 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.95 -37.11 27.83 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.484 2.122 . . . . 10.0 111.926 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -67.35 -12.24 59.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.815 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.32 19.69 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.099 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.63 97.11 5.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.351 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -94.33 119.44 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.618 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.0 116.38 29.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.335 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' B' ' 68' ' ' HIS . 26.9 pt -119.5 130.45 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -134.92 133.87 40.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 16.32 8.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 89.75 11.9 63.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.96 -0.638 . . . . 10.0 112.934 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -131.25 121.13 24.24 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.758 0.313 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -60.74 126.62 28.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -75.74 124.21 26.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.557 ' HG3' ' H ' ' B' ' 53' ' ' GLY . 8.6 tp10 -82.98 131.72 35.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.776 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.8 m-20 -60.68 -2.28 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.524 0.678 . . . . 10.0 109.453 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.557 ' H ' ' HG3' ' B' ' 51' ' ' GLU . . . -103.1 10.2 54.99 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 114.736 -1.12 . . . . 10.0 113.705 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -134.14 159.53 40.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 10.0 111.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 66.0 p -97.69 169.65 9.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.42 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.01 -44.55 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 10.0 109.952 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -48.62 -35.01 12.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.823 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.85 -48.94 79.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.053 0.454 . . . . 10.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.65 23.67 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 p30 40.55 40.49 0.91 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.008 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -79.79 105.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.464 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -90.36 -178.04 5.25 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.921 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 158.46 33.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.126 0.489 . . . . 10.0 111.895 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 61.06 28.03 17.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.1 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 82.6 p -97.65 147.16 24.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.507 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -84.09 155.69 22.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -149.53 102.59 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.445 ' HB3' ' CG1' ' B' ' 44' ' ' ILE . 7.9 t-80 -69.52 124.59 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -108.22 118.83 37.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.217 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.431 HG12 ' CZ2' ' A' ' 37' ' ' TRP . 12.9 m . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.366 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.912 0.387 . . . . 10.0 110.772 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.666 ' HB2' HG21 ' A' ' 29' ' ' VAL . 7.0 m-85 -128.27 166.68 18.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 10.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -127.56 117.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 177.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.861 HG22 HG12 ' A' ' 54' ' ' VAL . 19.9 t -98.24 107.4 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 N-CA-C 113.234 0.828 . . . . 10.0 113.234 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.0 mt-10 -100.78 94.82 6.26 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -178.08 172.89 1.55 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.33 -1.305 . . . . 10.0 109.427 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.03 110.66 15.62 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HB3' HG12 ' A' ' 20' ' ' ILE . 73.6 t80 -140.29 131.87 27.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.945 0.402 . . . . 10.0 111.034 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.03 125.27 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 119.6 6.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -92.33 -18.19 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.231 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.474 ' CG ' ' H ' ' A' ' 15' ' ' ASP . 43.2 t-80 -137.6 175.84 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.885 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 t70 -65.65 -44.77 85.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.8 -1.12 18.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.07 135.92 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.272 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 42' ' ' LEU . 19.6 tp -104.24 138.69 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.186 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -85.57 113.19 21.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.634 HD12 HG11 ' A' ' 6' ' ' VAL . 7.0 pt -114.95 128.23 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -121.48 156.69 32.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.47 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 15.7 m -47.95 124.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 10.0 112.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.92 -21.18 40.97 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.01 -0.614 . . . . 10.0 113.686 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.26 114.87 8.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.959 0.38 . . . . 10.0 111.045 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 pt -87.96 134.13 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD13 ' CE2' ' A' ' 49' ' ' PHE . 42.1 mt -101.54 123.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.476 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -74.87 146.66 41.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.165 0.507 . . . . 10.0 111.772 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 43.69 62.12 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.437 -0.802 . . . . 10.0 113.044 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 4' ' ' TYR . 73.5 t -82.86 123.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 10.0 110.465 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -128.39 133.99 48.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 31' ' ' LYS . 2.3 mppt? -68.43 128.77 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.606 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.51 176.79 7.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.797 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.453 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -76.92 -6.68 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.405 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -96.88 131.21 43.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.409 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 20.1 tt0 -65.46 122.2 16.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.47 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.42 8.72 80.52 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.758 -0.656 . . . . 10.0 113.508 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.549 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -124.47 124.88 43.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 10.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 37' ' ' TRP . 8.5 mp -125.44 155.25 40.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.353 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp20? -115.82 146.32 42.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.759 0.314 . . . . 10.0 110.363 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -170.97 -178.29 41.43 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.061 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.34 115.96 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 10.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.8 tt -128.96 127.1 41.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.539 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.595 ' N ' HD23 ' A' ' 42' ' ' LEU . 63.4 t30 61.88 32.59 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.462 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.1 -20.11 8.94 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.118 -0.563 . . . . 10.0 113.551 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -100.29 130.29 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 10.0 110.904 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 46' ' ' ARG . 10.3 mtp180 -90.89 131.67 36.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.32 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.55 168.13 34.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.898 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.514 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 35.0 mtt -85.72 146.87 26.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' A' ' 54' ' ' VAL . 3.6 p90 -147.44 157.19 45.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.386 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 21.4 Cg_exo -65.23 137.85 53.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.65 2.233 . . . . 10.0 112.271 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 53' ' ' PHE . 11.9 p-10 -66.37 -41.65 89.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.723 0.638 . . . . 10.0 112.723 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -71.11 16.58 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.63 ' O ' HG13 ' A' ' 6' ' ' VAL . 3.4 m-85 -119.94 -27.53 5.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.949 0.404 . . . . 10.0 110.072 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.861 HG12 HG22 ' A' ' 6' ' ' VAL . 3.4 m -102.61 148.13 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.492 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -127.81 120.45 27.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.74 138.85 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.117 0.484 . . . . 10.0 112.105 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.451 HD11 ' CG2' ' A' ' 5' ' ' ILE . 23.9 mm -102.26 129.68 53.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.117 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.133 -0.937 . . . . 10.0 110.954 -179.599 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.495 0.188 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -107.67 156.69 18.79 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.632 0.253 . . . . 10.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -139.08 144.97 28.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.408 179.468 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.93 112.55 25.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 10.0 111.762 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.36 141.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.272 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -98.63 123.66 42.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -102.39 129.49 48.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.354 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.426 HD22 ' CE3' ' A' ' 37' ' ' TRP . 83.5 mt -42.16 -38.07 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.434 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -59.73 -54.09 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.809 0.338 . . . . 10.0 110.462 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.465 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.76 23.5 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.985 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.02 137.93 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.439 . . . . 10.0 111.993 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -103.69 89.59 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.506 -0.77 . . . . 10.0 108.933 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 pt -81.01 116.87 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.611 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 44.0 p -90.26 124.71 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.145 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.34 147.52 46.95 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.91 130.61 37.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.752 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.412 HG22 ' N ' ' B' ' 18' ' ' GLU . 11.4 p -160.37 157.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.228 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.412 ' N ' HG22 ' B' ' 17' ' ' VAL . 35.0 mm-40 -119.31 159.61 44.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.01 -25.73 80.46 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.56 2.173 . . . . 10.0 112.35 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -88.18 -11.1 47.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.438 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.17 145.51 55.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.233 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.3 p -91.24 160.65 15.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.209 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.4 mm -67.91 -39.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.155 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.93 -33.16 66.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.99 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.89 -56.31 5.95 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.436 ' HA ' ' NZ ' ' B' ' 29' ' ' LYS . 93.7 t -45.17 -34.21 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.0 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.77 -46.94 80.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.914 0.388 . . . . 10.0 110.08 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.53 57.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.334 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' B' ' 26' ' ' VAL . 37.4 mtmm -49.58 -30.49 8.75 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.514 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -78.79 -38.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -77.41 -4.41 45.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.509 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -107.75 -10.78 15.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.103 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -124.5 -15.42 6.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.342 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -129.79 -14.39 4.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.418 -0.356 . . . . 10.0 111.106 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 35.25 88.47 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.25 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 53.4 mt -102.74 118.07 59.27 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.693 0.247 . . . . 10.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 9.8 Cg_endo -54.34 133.74 57.57 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.625 2.217 . . . . 10.0 112.723 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -59.51 -37.9 86.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.965 2.444 . . . . 10.0 112.77 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.86 -11.84 57.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.982 0.42 . . . . 10.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -118.92 21.05 12.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.438 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 22.4 mt-30 -116.12 102.53 9.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.248 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.436 ' HB2' HG13 ' B' ' 70' ' ' VAL . 57.0 mtp180 -98.03 117.98 33.59 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.493 ' N ' HD12 ' B' ' 43' ' ' LEU . 6.5 mp -110.5 119.18 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.162 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.434 ' N ' HD12 ' B' ' 44' ' ' ILE . 4.8 mp -123.03 129.2 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 10.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -136.26 133.3 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 19.67 9.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.678 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.5 30.83 32.09 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.614 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -150.21 118.12 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.022 0.439 . . . . 10.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 23.1 mp0 -56.35 132.74 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.67 125.99 30.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.335 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 34.9 tt0 -85.08 129.55 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.132 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.62 -26.57 13.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.527 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -90.73 13.78 64.85 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.136 -0.554 . . . . 10.0 113.62 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -125.22 154.41 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.684 0.278 . . . . 10.0 110.794 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.6 p -99.08 169.16 9.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.715 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.1 -44.56 87.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.47 . . . . 10.0 110.059 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -50.16 -32.8 17.11 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.619 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.055 0.455 . . . . 10.0 110.4 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -95.87 23.2 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.754 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 42.47 36.19 0.75 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.181 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -76.74 106.3 6.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 10.0 111.403 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -92.87 -179.41 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.781 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.68 157.72 33.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.113 0.483 . . . . 10.0 111.867 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.86 26.1 14.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.265 -0.88 . . . . 10.0 111.187 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -71.94 -161.35 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 32.6 p -157.49 90.47 1.1 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.846 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.4 mp -84.23 154.44 23.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -113.89 118.48 34.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.553 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.449 HD23 ' C ' ' B' ' 69' ' ' LEU . 5.1 tt -101.51 114.47 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.231 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.436 HG13 ' HB2' ' B' ' 42' ' ' ARG . 12.7 p . . . . . 0 C--N 1.332 -0.186 0 CA-C-O 120.966 0.412 . . . . 10.0 111.703 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.603 0.239 . . . . 10.0 111.265 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.13 117.33 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.309 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.516 ' CD2' HG11 ' A' ' 29' ' ' VAL . 5.0 m-30 -103.25 167.62 9.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.503 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.4 121.69 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.266 -0.879 . . . . 10.0 108.935 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.86 HG21 ' HB ' ' A' ' 20' ' ' ILE . 30.0 m -97.43 107.02 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 3.5 mp0 -97.23 96.43 8.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 118.555 -1.258 . . . . 10.0 108.61 176.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -178.14 -171.45 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.296 -1.32 . . . . 10.0 108.339 178.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -133.34 34.05 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.084 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -58.89 135.11 57.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -112.71 130.92 55.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.621 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.08 119.33 4.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -90.43 -24.8 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.143 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.495 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 29.4 m80 -127.35 175.62 8.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.718 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.18 -39.97 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 48' ' ' MET . 5.3 p-10 -78.8 -1.2 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' HB2' ' A' ' 14' ' ' HIS . 50.4 mm-40 -91.48 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.39 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 140.32 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -86.72 113.48 22.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.584 -0.446 . . . . 10.0 109.812 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.86 ' HB ' HG21 ' A' ' 6' ' ' VAL . 22.1 pt -113.19 123.64 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.959 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 6' ' ' VAL . 98.7 mtt180 -122.88 161.35 24.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.686 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 20.1 t -47.64 124.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.456 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.01 -20.31 37.07 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.738 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.68 ' O ' HG22 ' A' ' 6' ' ' VAL . 24.4 mt-10 -68.1 115.12 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.072 0.436 . . . . 10.0 111.041 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.6 pt -90.44 129.09 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.457 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.705 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.4 mp -96.07 123.37 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.332 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 41' ' ' GLU . 92.4 mtt180 -70.91 144.89 50.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.351 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 35.71 70.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG11 ' CD2' ' A' ' 4' ' ' TYR . 25.2 t -82.2 130.21 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.016 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -130.27 132.67 46.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.808 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.38 126.95 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.44 178.62 6.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.964 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 7.1 mp0 -93.89 128.37 40.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.625 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 17.7 tt0 -57.59 118.22 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.114 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.89 -32.63 5.72 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.869 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 15.5 m95 -73.1 124.28 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 10.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.884 HD12 HG11 ' A' ' 54' ' ' VAL . 32.5 mt -126.4 149.59 49.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -116.15 138.45 51.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 10.0 110.255 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.53 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -164.47 178.24 39.8 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.095 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 4.3 mp0 -108.88 115.51 30.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.988 0.423 . . . . 10.0 110.744 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.6 tt -133.1 128.2 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.757 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.667 ' N ' HD23 ' A' ' 42' ' ' LEU . 12.9 t-20 61.78 32.0 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.426 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.38 4.86 75.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.001 -0.619 . . . . 10.0 113.354 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -117.46 129.5 55.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 10.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -91.69 120.44 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.715 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.85 167.55 33.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.657 -0.783 . . . . 10.0 112.811 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 20.1 ptp -93.68 151.93 19.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HB2' HD13 ' A' ' 20' ' ' ILE . 16.1 p90 -152.5 150.59 25.32 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.24 145.15 78.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.596 2.197 . . . . 10.0 112.545 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 54' ' ' VAL . 12.7 t70 -78.26 -22.32 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.648 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -76.25 4.89 7.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.522 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.09 -6.69 8.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.383 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.884 HG11 HD12 ' A' ' 38' ' ' LEU . 14.2 p -116.7 144.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.325 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -130.35 108.55 10.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.699 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 4' ' ' TYR . 29.5 tt0 -54.54 122.5 10.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 10.0 111.732 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' ILE . 13.1 tt -121.64 101.38 10.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.698 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' B' ' 19' ' ' PRO . 23.2 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.698 0.285 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -108.89 155.31 20.97 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -143.02 141.81 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.861 0.362 . . . . 10.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.45 158.94 21.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.377 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -145.0 119.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 45.8 tttt -83.24 117.5 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.68 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -99.75 127.17 45.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -40.07 -40.62 1.1 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.9 p -58.97 -54.52 46.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 10.0 110.718 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.625 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.66 24.69 0.11 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.917 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -113.86 133.01 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.014 0.435 . . . . 10.0 111.784 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -98.89 84.3 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.672 -0.695 . . . . 10.0 109.453 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 pt -79.15 110.57 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.376 0.608 . . . . 10.0 110.873 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 54.1 m -95.47 109.08 21.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.551 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 15' ' ' LEU . 6.5 mp -105.52 155.24 19.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.469 0.915 . . . . 10.0 113.469 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -76.14 138.1 40.51 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.09 -0.959 . . . . 10.0 110.578 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.5 p -165.3 159.3 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.895 0.378 . . . . 10.0 111.563 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' HG22 ' B' ' 17' ' ' VAL . 8.6 mp0 -117.67 158.24 45.9 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.279 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.451 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 27.7 Cg_endo -62.7 -20.72 71.78 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.355 2.036 . . . . 10.0 112.165 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.0 p -92.38 -11.53 34.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.303 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.48 147.72 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.028 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 23.7 p -91.97 162.32 14.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.008 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 31.3 mm -69.56 -34.95 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.8 -32.56 71.9 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.158 0.504 . . . . 10.0 109.71 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -71.67 -56.89 4.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.851 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -45.84 -33.55 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.051 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.15 -42.85 88.49 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.903 0.383 . . . . 10.0 110.258 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -52.1 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.092 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -49.57 -32.27 12.29 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.091 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.632 HD12 ' OE1' ' B' ' 41' ' ' GLN . 38.7 mt -77.92 -37.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.203 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -76.05 -6.28 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.312 178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.67 -9.68 15.79 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.426 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -124.55 -15.3 6.63 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.667 -0.242 . . . . 10.0 111.604 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.14 -10.4 2.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.979 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.12 40.82 99.63 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.083 -0.58 . . . . 10.0 113.504 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -106.87 111.96 63.56 Favored Pre-proline 0 C--O 1.233 0.198 0 CA-C-N 116.749 0.274 . . . . 10.0 110.761 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 86.7 Cg_exo -46.81 132.94 17.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.929 2.419 . . . . 10.0 113.03 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -59.8 -38.67 78.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.866 2.377 . . . . 10.0 112.684 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.58 -13.14 61.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.122 0.487 . . . . 10.0 110.752 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.416 HE21 HH22 ' B' ' 72' ' ' ARG . 22.2 mp0 -117.61 21.69 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.009 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.632 ' OE1' HD12 ' B' ' 30' ' ' ILE . 8.4 tt0 -118.24 101.87 8.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.214 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.437 ' HB2' HG23 ' B' ' 70' ' ' VAL . 14.1 mmm180 -97.6 120.18 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.896 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -112.05 119.71 39.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.389 -0.368 . . . . 10.0 110.107 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.2 128.58 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 10.0 110.722 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -134.99 131.7 37.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.907 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.0 20.34 12.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.275 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.69 28.76 34.3 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.101 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -154.94 125.76 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 10.0 110.751 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.411 ' HB2' HH12 ' B' ' 42' ' ' ARG . 14.3 pt20 -56.17 140.96 42.58 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -89.58 121.52 31.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.657 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' B' ' 53' ' ' GLY . 36.1 mt-10 -80.25 126.77 31.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.369 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.9 p-10 -57.35 -6.62 0.45 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -100.0 11.48 60.55 Favored Glycine 0 N--CA 1.433 -1.516 0 CA-C-N 114.669 -1.151 . . . . 10.0 114.315 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -135.33 162.5 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 117.149 0.474 . . . . 10.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.9 p -99.14 168.89 9.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.7 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.451 ' N ' HD22 ' B' ' 56' ' ' LEU . 3.3 mm? -57.71 -44.58 86.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -49.97 -32.45 15.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.575 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.62 -46.88 88.6 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.051 0.453 . . . . 10.0 110.27 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.06 22.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.569 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 41.75 36.45 0.61 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.044 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -77.91 107.59 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 10.0 111.238 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -93.27 -175.65 3.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -68.09 156.22 37.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 64.31 25.86 13.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.475 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.421 ' HB3' ' H ' ' B' ' 66' ' ' THR . 24.4 m -70.91 -161.41 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.951 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.421 ' H ' ' HB3' ' B' ' 65' ' ' SER . 1.8 t -159.12 90.9 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 10.0 110.737 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.509 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.6 mp -82.5 156.58 23.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.683 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -116.38 116.14 27.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.196 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.1 tp -98.58 113.13 25.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.749 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 42' ' ' ARG . 20.7 m -116.87 172.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.195 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.4 tp -116.94 148.48 41.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.785 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.416 HH22 HE21 ' B' ' 40' ' ' GLN . 39.2 ttp180 -57.6 107.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.483 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.77 91.24 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.199 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.497 ' HE ' ' N ' ' B' ' 75' ' ' GLY . 7.1 tpm_? -90.05 120.22 31.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.19 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . 0.497 ' N ' ' HE ' ' B' ' 74' ' ' ARG . . . -95.58 -17.74 35.16 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.453 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.347 -1.252 . . . . 10.0 112.672 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.917 0.389 . . . . 10.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.533 ' O ' HG22 ' A' ' 57' ' ' ILE . 11.5 t70 -152.13 152.29 32.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.304 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.707 ' HB2' HG21 ' A' ' 29' ' ' VAL . 7.6 m-85 -132.87 166.14 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 10.0 111.3 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.499 HG12 HG22 ' A' ' 25' ' ' ILE . 48.5 mt -120.11 116.95 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 107.461 -1.311 . . . . 10.0 107.461 178.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.932 HG12 HG12 ' A' ' 54' ' ' VAL . 15.3 m -96.6 106.59 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -176.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 43.1 tt0 -97.22 97.18 8.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -175.67 171.01 2.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.516 -1.22 . . . . 10.0 109.097 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.9 28.86 8.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.918 0.389 . . . . 10.0 110.489 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.21 141.09 58.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.795 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.71 141.49 51.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.171 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -53.72 118.98 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -91.98 -28.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.255 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 5.8 t-160 -129.28 -179.87 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.06 -44.45 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.991 0.424 . . . . 10.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -1.46 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.29 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' A' ' 14' ' ' HIS . 11.8 mm-40 -94.78 139.58 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 10.0 110.509 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 42' ' ' LEU . 17.4 tp -106.13 139.88 39.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 4.5 t -86.99 113.94 23.17 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.891 ' HB ' HG21 ' A' ' 6' ' ' VAL . 19.6 pt -113.07 125.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.433 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -116.09 152.29 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.39 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 18.6 m -47.25 124.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -19.13 52.49 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.797 -0.638 . . . . 10.0 113.587 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.746 ' O ' HG22 ' A' ' 6' ' ' VAL . 19.4 mm-40 -68.38 119.05 12.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 10.0 111.046 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.499 HG22 HG12 ' A' ' 5' ' ' ILE . 24.1 pt -91.06 128.76 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.447 HD11 HG11 ' A' ' 6' ' ' VAL . 31.7 mt -99.19 128.96 50.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.429 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -79.74 145.36 32.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.153 0.502 . . . . 10.0 111.663 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 48.75 56.98 6.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.866 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 4' ' ' TYR . 74.1 t -81.57 123.67 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.299 . . . . 10.0 110.392 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -132.23 150.21 52.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.79 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -72.71 130.71 41.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 tp -89.62 167.24 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.371 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.1 -15.7 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 10.0 110.394 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.77 130.9 38.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.629 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.55 ' CG ' ' HA2' ' B' ' 10' ' ' GLY . 0.7 OUTLIER -64.59 123.28 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.972 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 86.26 12.04 71.23 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.713 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.47 ' CD1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -127.36 126.41 42.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.996 0.427 . . . . 10.0 110.995 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -125.37 157.26 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -116.39 138.18 51.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 10.0 110.374 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.7 176.57 40.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.326 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.59 116.08 30.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 10.0 110.489 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HB3' HD21 ' A' ' 18' ' ' LEU . 36.5 tp -135.72 133.02 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.633 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 61.44 31.65 19.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.425 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 19.99 79.07 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.133 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 45' ' ' ARG . 33.1 mtm-85 -136.93 129.79 30.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.31 . . . . 10.0 110.662 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -89.17 123.28 33.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.114 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.96 167.15 33.2 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.957 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.485 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 57.6 mtt -88.5 147.39 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.662 0.268 . . . . 10.0 110.319 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 54' ' ' VAL . 3.3 p90 -147.01 148.3 32.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 10.0 111.513 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.532 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 51.2 Cg_exo -56.83 136.54 77.02 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.976 2.451 . . . . 10.0 112.704 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.02 -41.09 91.41 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -68.24 4.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 9.1 m-30 -113.36 -15.22 12.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 10.0 109.977 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.932 HG12 HG12 ' A' ' 6' ' ' VAL . 3.6 m -111.58 146.91 15.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.362 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.3 124.69 27.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.432 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 9.2 tp10 -43.83 137.6 3.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.016 0.436 . . . . 10.0 111.976 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 3' ' ' ASP . 17.3 tt -75.22 130.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.559 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.106 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.54 0.21 . . . . 10.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -111.03 156.95 20.52 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 10.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 pt -139.19 141.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.605 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.34 113.15 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.649 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -94.78 141.4 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.16 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -100.84 126.46 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.477 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -95.22 170.23 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.282 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.489 ' C ' HD12 ' B' ' 8' ' ' LEU . 3.6 pp -88.54 -7.38 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 10.0 111.148 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.407 ' N ' HD12 ' B' ' 8' ' ' LEU . 80.0 m -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.262 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.55 ' HA2' ' CG ' ' A' ' 35' ' ' GLU . . . 143.7 15.54 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.273 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -108.33 136.38 48.06 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.9 p -102.79 91.64 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.532 -0.914 . . . . 10.0 108.532 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.403 HG12 ' H ' ' B' ' 13' ' ' ILE . 14.0 pt -85.29 112.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.161 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 28.2 m -81.85 141.65 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.14 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -135.01 144.86 47.59 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.208 0.448 . . . . 10.0 112.208 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -81.87 122.47 27.77 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.159 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -155.77 161.68 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.199 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.92 161.26 39.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.428 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.55 -27.81 85.89 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.56 2.173 . . . . 10.0 112.43 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -86.34 -7.03 58.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.585 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.71 146.84 49.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 10.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -91.07 161.35 15.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.151 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -69.92 -34.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.377 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.66 -32.22 72.37 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.074 0.464 . . . . 10.0 109.772 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.85 -56.54 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.522 -0.763 . . . . 10.0 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -45.52 -30.88 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.902 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -71.73 -39.55 70.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.04 29.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.423 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -98.88 -22.22 15.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.915 -1.142 . . . . 10.0 107.915 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.673 HD12 ' OE1' ' B' ' 41' ' ' GLN . 43.6 mt -86.93 -32.94 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.734 -1.121 . . . . 10.0 109.765 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.426 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 60.5 tt0 -80.29 -4.28 52.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.124 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -107.51 -12.82 15.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.998 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -117.49 -30.33 5.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -119.06 -12.82 9.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.823 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.03 34.07 80.68 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.797 -0.716 . . . . 10.0 113.402 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.45 119.75 59.47 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.762 0.281 . . . . 10.0 110.679 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -53.26 133.49 52.93 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.754 2.303 . . . . 10.0 112.743 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 34.2 Cg_exo -60.31 -38.39 75.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.813 2.342 . . . . 10.0 112.118 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.56 -21.1 66.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -112.34 19.67 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.612 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.673 ' OE1' HD12 ' B' ' 30' ' ' ILE . 8.6 tt0 -115.58 99.38 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.436 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.454 ' HB2' HG23 ' B' ' 70' ' ' VAL . 52.3 mtm180 -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.375 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.493 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 9.6 mp -111.42 120.6 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.357 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.652 ' C ' HD13 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -125.29 127.8 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.464 ' N ' HD13 ' B' ' 44' ' ' ILE . 40.2 t80 -135.34 135.19 40.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.642 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 16.94 10.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.87 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' CA ' HD11 ' B' ' 44' ' ' ILE . . . 90.98 5.5 67.99 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.202 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -128.47 128.04 43.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.956 0.408 . . . . 10.0 111.519 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.48 130.71 45.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.328 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -76.86 127.0 31.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.486 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -85.54 131.29 34.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.71 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.503 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.4 p-10 -59.08 -10.33 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.079 0.466 . . . . 10.0 110.359 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.19 11.92 60.28 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.513 -0.767 . . . . 10.0 113.557 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -117.92 -172.48 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 10.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.472 ' C ' ' H ' ' B' ' 57' ' ' SER . 52.5 p -132.17 159.03 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.817 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.4 8.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 55' ' ' THR . 47.1 t -103.54 -28.23 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.42 -41.28 93.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.976 -1.011 . . . . 10.0 110.21 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -96.58 20.89 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.546 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.74 40.93 2.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mm -80.63 103.76 8.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -90.17 -177.39 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.01 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.0 159.38 28.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.721 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 59.74 26.67 15.82 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.576 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -91.61 146.73 23.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.8 t -104.82 111.52 24.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.2 mp -94.85 149.8 20.86 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.775 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.456 ' HB3' HG23 ' B' ' 44' ' ' ILE . 5.1 t-80 -106.82 125.58 51.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 10.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 70' ' ' VAL . 3.1 tt -105.83 115.8 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.062 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' B' ' 42' ' ' ARG . 29.0 m -121.39 165.27 17.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.461 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 132.29 40.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.69 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' B' ' 42' ' ' ARG . 32.2 ptt180 -53.12 -45.5 68.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.2 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.84 -66.76 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 55.76 91.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 110.52 2.84 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.591 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.453 -1.193 . . . . 10.0 112.549 -179.877 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.702 0.287 . . . . 10.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.46 137.57 33.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 14.4 m-30 -113.67 167.61 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.548 HG12 HG22 ' A' ' 25' ' ' ILE . 39.7 mt -117.35 118.08 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.725 HG11 HD12 ' A' ' 20' ' ' ILE . 21.3 t -98.75 105.81 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 54.1 tp10 -102.8 95.35 6.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.042 -1.063 . . . . 10.0 108.369 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -178.72 177.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.507 -1.224 . . . . 10.0 109.496 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.38 106.48 14.05 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 50' ' ' PRO . 64.9 t80 -141.41 133.94 28.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.994 0.426 . . . . 10.0 111.667 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -118.74 135.29 54.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.711 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.846 ' H ' HG22 ' A' ' 19' ' ' THR . . . -58.53 123.27 15.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.225 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.36 -27.95 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -122.01 172.92 7.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.42 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.33 -38.37 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -80.16 3.24 21.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.104 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -97.65 146.64 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.4 tp -106.52 138.93 41.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.758 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.846 HG22 ' H ' ' A' ' 12' ' ' ALA . 30.3 p -86.53 113.9 22.82 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.725 HD12 HG11 ' A' ' 6' ' ' VAL . 15.3 pt -115.28 126.53 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 10.0 111.189 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 35.5 ttp180 -119.87 159.7 24.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.631 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.568 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 6.0 m -46.31 124.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.271 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 -19.02 35.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.069 -0.586 . . . . 10.0 113.525 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -68.63 114.35 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 10.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.548 HG22 HG12 ' A' ' 5' ' ' ILE . 23.4 pt -89.1 133.96 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.691 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.656 ' CD1' HD22 ' A' ' 42' ' ' LEU . 3.5 mm -99.72 122.62 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.089 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.53 147.41 39.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 10.0 111.727 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 42.32 62.04 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.534 -0.757 . . . . 10.0 112.697 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.52 HG12 HD22 ' A' ' 38' ' ' LEU . 3.1 t -84.67 127.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.011 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 140.66 46.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HA ' HD23 ' A' ' 38' ' ' LEU . 64.1 mmtt -59.45 133.37 56.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.123 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 36.3 tp -94.95 167.67 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.181 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 2.0 mp0 -72.0 -7.46 48.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 48.4 mt-10 -97.32 127.42 43.26 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.152 0.501 . . . . 10.0 110.586 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.625 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 29.4 tt0 -59.54 120.11 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.428 -0.806 . . . . 10.0 112.16 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' HA3' ' CE ' ' B' ' 6' ' ' LYS . . . 82.97 17.91 66.4 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 95.3 m95 -128.98 125.89 38.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.285 0.564 . . . . 10.0 111.18 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 31' ' ' LYS . 7.3 mt -116.38 151.49 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.33 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 14.5 tp10 -115.48 138.1 51.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.3 -178.45 38.47 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.47 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.17 115.94 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 10.0 111.17 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 26' ' ' ILE . 29.9 tp -132.32 129.52 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.035 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m120 60.94 29.53 19.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.277 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.95 78.32 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.887 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 45' ' ' ARG . 38.0 mtm105 -129.27 129.92 45.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 10.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -90.58 113.7 25.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.52 162.89 29.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.173 -1.013 . . . . 10.0 113.393 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 48' ' ' MET . 1.8 mpt? -90.18 150.06 22.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.616 -0.292 . . . . 10.0 110.423 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.637 ' HB2' HD13 ' A' ' 20' ' ' ILE . 12.9 p90 -152.13 153.23 30.91 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.949 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 52.9 Cg_exo -54.82 138.4 76.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.654 2.236 . . . . 10.0 112.391 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HA ' HG12 ' A' ' 54' ' ' VAL . 17.1 m-20 -79.29 -14.38 59.05 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -84.47 7.6 19.23 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' O ' HG13 ' A' ' 6' ' ' VAL . 21.3 m-85 -121.29 -17.76 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.396 . . . . 10.0 110.312 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 4.4 p -102.88 144.24 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.72 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -130.81 117.05 18.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.1 mp0 -44.24 138.93 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.591 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.704 HD13 ' N ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -74.57 127.26 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.123 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.704 ' N ' HD13 ' A' ' 57' ' ' ILE . 2.2 tpmt? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.921 . . . . 10.0 110.694 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.503 0.192 . . . . 10.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.2 pt20 -110.27 157.72 19.16 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.685 0.278 . . . . 10.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' B' ' 14' ' ' THR . 33.9 pt -140.96 144.16 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.32 112.63 25.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.896 0.379 . . . . 10.0 111.866 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.76 144.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.486 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.426 ' CE ' ' HA3' ' A' ' 36' ' ' GLY . 54.8 mtpt -98.72 123.56 43.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.516 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.2 m -103.48 130.22 50.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -37.78 -52.72 1.29 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.49 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -47.53 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.625 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 152.16 26.38 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.526 -0.845 . . . . 10.0 113.348 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -116.51 124.87 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 112.127 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -87.37 87.81 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.171 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 13' ' ' ILE . 13.2 pt -81.78 106.8 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.498 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.7 t -80.73 152.34 28.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -148.1 147.53 29.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.016 0.436 . . . . 10.0 112.151 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.88 133.15 40.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.299 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.484 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.8 p -164.31 160.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.18 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' N ' HG22 ' B' ' 17' ' ' VAL . 11.2 pt-20 -122.25 159.15 53.43 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.493 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.01 -23.73 70.01 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.683 2.255 . . . . 10.0 112.899 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 m -91.16 -9.37 45.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.585 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.95 146.98 52.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 10.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -91.31 165.15 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.171 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 32.5 mm -72.53 -34.65 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.251 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.78 -32.05 71.39 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -72.49 -58.67 3.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.915 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.21 -32.29 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.112 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -66.02 -46.78 76.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.958 0.409 . . . . 10.0 109.983 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -58.33 -52.54 65.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.958 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -49.33 -30.05 6.98 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.658 HD12 ' OE1' ' B' ' 41' ' ' GLN . 34.4 mt -79.22 -38.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.4 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 16.9 pt20 -80.31 -0.99 39.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.874 0.369 . . . . 10.0 110.381 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -105.57 -11.12 16.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.994 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -123.4 -27.62 4.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.972 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -118.04 -13.23 10.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.613 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.3 90.04 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.809 -0.71 . . . . 10.0 113.235 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -101.52 117.15 62.53 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.562 0.181 . . . . 10.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.17 139.27 35.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.568 2.179 . . . . 10.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.71 -37.12 22.18 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.619 2.213 . . . . 10.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.92 -11.56 60.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.671 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -118.14 19.64 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.137 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.658 ' OE1' HD12 ' B' ' 30' ' ' ILE . 7.3 tt0 -118.04 103.56 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.207 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -100.87 121.23 41.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.852 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 8.4 mp -111.0 116.12 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.485 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -117.29 127.41 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD11 ' B' ' 50' ' ' LEU . 86.2 t80 -132.99 132.44 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.74 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 29.47 17.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.574 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.52 32.0 62.46 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -148.33 115.4 6.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.722 0.296 . . . . 10.0 110.698 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -57.0 131.15 48.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.112 0.482 . . . . 10.0 111.528 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' B' ' 45' ' ' PHE . 3.1 mp -80.58 122.43 27.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.272 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 53' ' ' GLY . 8.4 mm-40 -81.12 129.38 34.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.808 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.471 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.1 p30 -58.34 -5.28 0.48 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.39 11.51 58.27 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 114.585 -1.189 . . . . 10.0 114.364 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -134.35 160.74 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.246 0.523 . . . . 10.0 111.457 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 4.9 t -98.15 166.92 11.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.541 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mp -55.7 -46.22 77.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 10.0 109.917 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -49.44 -32.2 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.615 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.05 -47.41 85.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.076 0.465 . . . . 10.0 110.09 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -94.03 23.59 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.631 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.05 37.51 0.57 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.15 106.25 8.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.472 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.75 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.89 155.06 41.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.051 0.453 . . . . 10.0 111.555 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 68.81 23.87 6.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p -91.69 147.8 22.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 66' ' ' THR . 6.6 t -106.48 109.78 21.79 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 113.533 0.938 . . . . 10.0 113.533 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.534 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -89.73 157.77 17.83 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.087 177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 50' ' ' PRO . 40.5 m-70 -113.9 119.66 38.03 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.732 0.301 . . . . 10.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.07 115.21 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.362 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.463 HG13 ' O ' ' B' ' 70' ' ' VAL . 5.8 p -128.05 101.99 7.95 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-O 121.149 0.5 . . . . 10.0 111.809 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.85 -64.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.891 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -142.93 -0.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.325 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.403 HD13 ' C ' ' B' ' 73' ' ' LEU . 0.7 OUTLIER 63.41 92.85 0.06 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.31 -179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -77.9 155.72 30.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.046 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.21 6.82 33.63 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.262 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -1.232 . . . . 10.0 112.183 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.048 0.451 . . . . 10.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -151.54 126.19 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 15.8 m-30 -109.27 167.64 9.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.458 . . . . 10.0 111.117 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.8 tt -121.91 118.75 56.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.152 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -94.84 107.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -177.243 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 17.4 mm-40 -97.37 97.38 9.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 119.175 -1.01 . . . . 10.0 109.121 177.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -178.03 -177.87 0.64 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.214 178.189 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -124.07 29.2 6.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.868 0.366 . . . . 10.0 110.869 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.438 ' HB3' HG13 ' A' ' 20' ' ' ILE . 14.4 t80 -59.6 137.29 58.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' HA ' HG23 ' A' ' 19' ' ' THR . 9.7 m-20 -118.32 135.15 54.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.389 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.52 119.61 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 t -90.04 -17.66 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.946 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' HB2' HH12 ' B' ' 42' ' ' ARG . 9.3 t-80 -132.78 170.95 14.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.291 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.17 -39.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.146 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.32 1.04 19.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.356 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -103.12 136.17 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 19' ' ' THR . 3.3 tm? -93.57 144.12 25.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.455 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.578 ' N ' HD13 ' A' ' 18' ' ' LEU . 54.4 m -89.21 114.64 25.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' A' ' 49' ' ' PHE . 28.6 pt -109.47 123.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 10.0 111.461 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -119.07 154.74 32.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.819 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 10.7 m -49.23 123.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.999 0.428 . . . . 10.0 112.057 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.81 -19.51 54.33 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.621 -0.718 . . . . 10.0 113.4 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.4 mt-10 -68.24 140.34 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 10.0 110.674 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.0 pt -111.25 127.62 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.785 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -94.08 114.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.354 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.524 HH22 ' H ' ' A' ' 44' ' ' GLY . 40.0 mtm180 -69.48 145.99 52.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.427 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 t30 39.31 69.18 0.3 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.677 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 4' ' ' TYR . 27.2 m -76.19 128.53 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.295 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -131.66 119.48 21.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.507 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -62.12 131.07 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.186 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 35.1 tp -88.25 166.37 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.465 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 10.6 mm100 -72.15 -3.19 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -102.31 133.32 47.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.64 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.578 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 22.6 tt0 -67.08 121.41 15.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.805 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 90.55 8.58 65.67 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.873 -0.68 . . . . 10.0 112.405 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CZ2' HG13 ' B' ' 70' ' ' VAL . 10.7 m95 -119.27 125.12 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 10.0 110.604 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -129.15 147.7 51.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.834 -1.173 . . . . 10.0 107.834 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.36 138.68 50.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 10.0 110.708 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.42 173.13 41.14 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.266 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 5.0 mp0 -108.91 115.71 30.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 10.0 109.965 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -137.89 136.42 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.218 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 61.81 29.39 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.751 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.524 ' H ' HH22 ' A' ' 27' ' ' ARG . . . 74.28 15.29 80.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.802 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -139.62 131.49 27.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.867 0.365 . . . . 10.0 110.614 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -87.32 131.73 34.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.38 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.42 166.56 35.36 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.509 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.3 mpp? -89.53 147.99 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 10.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.475 ' HB2' HD13 ' A' ' 20' ' ' ILE . 19.2 p90 -146.88 150.4 39.03 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.934 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 50.7 Cg_exo -54.81 129.82 37.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.694 2.262 . . . . 10.0 112.543 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.505 ' HA ' HG12 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -69.46 -20.81 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.888 -179.55 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -82.66 4.24 25.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.647 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 22.5 m-30 -118.48 -5.26 10.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 10.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 7.6 p -110.55 142.52 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.889 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -127.25 113.75 16.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 26.7 tt0 -53.29 136.59 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 10.0 112.152 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.4 mt -85.23 129.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.966 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.335 -0.841 . . . . 10.0 110.811 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.3 ptt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.532 0.206 . . . . 10.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.32 157.79 21.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 10.0 110.317 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 14' ' ' THR . 36.6 pt -140.87 145.53 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.414 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' B' ' 66' ' ' THR . 52.9 m-85 -105.09 112.6 25.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 10.0 111.612 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -95.09 139.64 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.702 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -94.19 123.17 37.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.3 m -101.84 127.34 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.943 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.571 HD23 ' H ' ' B' ' 8' ' ' LEU . 1.5 pt? -38.98 -44.42 1.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.095 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -55.66 -57.38 12.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.687 0.279 . . . . 10.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.578 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 151.07 18.59 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.402 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -109.09 135.16 50.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.113 0.483 . . . . 10.0 112.106 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.2 p -100.09 84.91 2.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.218 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 13' ' ' ILE . 19.9 pt -79.06 113.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 10.0 111.73 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.2 t -92.11 125.16 36.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.175 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 15' ' ' LEU . 5.6 mp -120.23 148.19 43.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -75.49 132.76 40.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.175 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.442 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.0 p -162.56 158.35 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 10.0 111.307 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' N ' HG22 ' B' ' 17' ' ' VAL . 8.2 mp0 -117.85 159.67 41.7 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.406 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.14 -22.52 74.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.584 2.189 . . . . 10.0 112.505 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -91.19 -9.51 45.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.566 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.24 149.19 48.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 10.0 111.028 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.484 HG22 HG22 ' B' ' 55' ' ' THR . 35.2 p -93.29 161.86 14.23 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.219 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.0 mm -68.05 -36.32 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.038 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -58.49 -37.13 74.9 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.656 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -68.49 -56.33 8.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.08 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -46.55 -33.12 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.131 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -66.31 -44.05 84.52 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.92 0.39 . . . . 10.0 110.348 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.68 68.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.884 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -49.08 -32.75 10.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.332 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.1 mt -76.15 -40.27 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.994 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -76.41 -5.15 46.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.366 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -102.5 -16.16 16.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.383 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -126.37 -6.02 6.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -133.29 -17.46 2.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.986 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.04 35.74 89.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.952 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HB ' HE21 ' B' ' 41' ' ' GLN . 43.2 mm -104.01 122.41 44.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.97 136.89 77.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.44 2.093 . . . . 10.0 112.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.89 -35.26 56.73 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.718 2.279 . . . . 10.0 112.137 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.0 -15.16 63.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.356 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -115.13 22.1 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.493 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.434 HE21 ' HB ' ' B' ' 36' ' ' ILE . 38.1 mt-30 -115.68 103.25 10.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.548 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.447 HH12 ' HB2' ' A' ' 14' ' ' HIS . 64.1 mtm180 -100.24 115.71 30.53 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.434 ' N ' HD12 ' B' ' 43' ' ' LEU . 7.5 mp -108.21 114.64 28.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.401 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 mt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 10.0 111.147 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -133.99 131.45 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . . . 62.55 20.7 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.916 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' B' ' 48' ' ' LYS . . . 85.15 17.45 62.78 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.183 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' B' ' 47' ' ' GLY . 2.3 mptp? -140.25 124.29 17.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.402 . . . . 10.0 111.42 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.421 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 1.8 mp0 -55.52 141.01 38.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.721 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.62 121.56 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.06 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' B' ' 53' ' ' GLY . 37.9 mt-10 -79.75 122.9 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.453 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.2 p-10 -45.82 -24.52 0.39 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.523 0.678 . . . . 10.0 109.407 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -68.8 -70.15 1.22 Allowed Glycine 0 N--CA 1.434 -1.496 0 CA-C-N 114.585 -1.189 . . . . 10.0 112.488 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -53.65 165.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.484 HG22 HG22 ' B' ' 22' ' ' THR . 41.8 p -106.94 171.79 7.17 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 114.285 -1.325 . . . . 10.0 109.843 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.88 -48.77 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 110.494 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.6 p -48.7 -30.92 6.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.817 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.09 -41.85 98.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.946 0.403 . . . . 10.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.41 ' HB2' HG13 ' B' ' 61' ' ' ILE . 51.1 m-85 -101.02 25.84 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p30 41.29 36.92 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.106 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.41 HG13 ' HB2' ' B' ' 59' ' ' TYR . 85.0 mt -76.98 103.62 4.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.838 0.351 . . . . 10.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -92.42 -178.76 5.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.401 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 7.2 ptpp? -63.28 158.26 20.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.706 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 61.54 26.27 16.03 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.401 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.4 p -89.81 143.99 26.34 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.447 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 35.7 m -105.99 108.7 20.35 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.7 mt -88.62 162.25 16.44 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.132 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -117.47 118.79 33.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.509 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.504 ' C ' HD13 ' B' ' 69' ' ' LEU . 2.8 tm? -101.2 114.23 28.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.869 0.366 . . . . 10.0 110.692 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.447 HG13 ' CZ2' ' A' ' 37' ' ' TRP . 5.7 t -107.76 151.33 9.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -93.78 -82.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.011 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 73' ' ' LEU . 2.9 tmm_? -168.81 -63.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.669 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 72' ' ' ARG . 24.9 tp -167.3 129.3 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.759 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -163.13 152.06 14.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.936 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.38 -67.57 1.77 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.328 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.372 -1.238 . . . . 10.0 112.559 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 121.015 0.436 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.44 132.4 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.005 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.699 ' HB2' HG21 ' A' ' 29' ' ' VAL . 2.8 m-30 -108.1 160.09 16.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.577 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.11 117.02 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 107.969 -1.122 . . . . 10.0 107.969 178.344 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.695 ' HB ' HG12 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -102.86 110.62 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.072 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 45.7 mt-10 -99.42 95.97 7.38 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.379 -1.341 . . . . 10.0 107.379 175.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 34.9 t80 -176.54 167.72 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.511 -1.222 . . . . 10.0 109.261 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 t70 -108.9 106.52 16.54 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -136.79 125.87 24.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 10.0 110.863 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -110.99 132.68 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -56.7 119.51 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.3 -15.9 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.773 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB3' ' HG2' ' A' ' 17' ' ' GLU . 35.8 t60 -131.99 169.87 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.005 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.48 -45.01 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 10.0 110.764 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.09 -1.32 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' HB3' ' A' ' 14' ' ' HIS . 75.3 mm-40 -97.21 142.62 28.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 10.0 110.54 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 42' ' ' LEU . 16.6 tp -106.2 141.4 37.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.352 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.515 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 5.0 t -90.47 115.58 27.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 10.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.706 HG21 HD11 ' A' ' 26' ' ' ILE . 7.0 pt -122.34 131.66 72.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.127 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.502 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 mpt_? -117.94 160.83 20.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.536 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.3 t -49.12 123.94 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.193 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -18.17 55.43 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.85 -0.614 . . . . 10.0 113.403 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' HG3' ' H ' ' A' ' 21' ' ' ARG . 19.2 mm-40 -60.77 145.69 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 10.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 25' ' ' ILE . 12.7 tt -116.73 120.59 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.904 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 20' ' ' ILE . 13.5 mt -94.09 124.28 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.373 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -78.18 149.79 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 10.0 111.736 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 42.99 59.87 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.997 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 4' ' ' TYR . 86.2 t -80.99 122.25 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 10.0 110.41 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -125.0 127.18 46.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.5 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HA ' HD22 ' A' ' 38' ' ' LEU . 63.9 mttm -65.68 122.26 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.09 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -84.33 178.08 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.234 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -73.63 -16.44 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.723 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -83.77 126.26 32.74 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.144 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.04 124.38 22.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.904 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 83.98 8.0 84.69 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.407 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -129.52 125.22 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 10.0 111.137 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD12 HG21 ' A' ' 54' ' ' VAL . 4.3 mt -122.74 162.03 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.315 -0.857 . . . . 10.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -116.04 139.33 50.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.08 177.77 40.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.485 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -111.08 116.44 31.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 10.0 110.781 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 43' ' ' ASN . 2.2 tm? -133.28 129.1 37.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.861 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.616 ' N ' HD13 ' A' ' 42' ' ' LEU . 60.4 t30 61.95 31.93 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.01 19.08 79.8 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.334 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -136.28 129.96 32.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 10.0 110.717 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -88.67 123.88 33.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.212 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.25 165.9 32.97 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.901 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 2.0 mpt? -85.65 148.16 26.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 4.2 p90 -147.68 156.08 44.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.955 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HG2' ' CD2' ' A' ' 53' ' ' PHE . 41.5 Cg_endo -66.7 141.66 60.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 10.0 112.394 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' HG22 ' A' ' 54' ' ' VAL . 12.7 t70 -73.59 -34.08 64.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.294 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -70.29 0.5 6.3 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CE2' ' A' ' 8' ' ' TYR . 12.4 m-30 -110.23 -24.32 10.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 10.0 109.961 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.695 HG12 ' HB ' ' A' ' 6' ' ' VAL . 25.4 m -103.17 149.39 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.372 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.28 106.49 8.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.406 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.48 122.83 7.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 57' ' ' ILE . 4.9 tp -122.43 101.09 9.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.388 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.014 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.468 0.175 . . . . 10.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -115.15 158.97 21.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.658 0.266 . . . . 10.0 110.322 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 14' ' ' THR . 42.9 pt -140.02 144.72 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.844 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HB3' ' CG2' ' B' ' 12' ' ' THR . 30.0 m-85 -99.7 110.11 22.53 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.457 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.45 104.39 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.52 136.87 56.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.721 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.3 p -118.35 150.46 39.48 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -48.2 -54.54 13.13 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -46.78 -42.01 16.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.843 0.354 . . . . 10.0 110.67 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.21 2.89 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.972 -0.632 . . . . 10.0 113.385 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -109.96 109.94 20.71 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.062 0.431 . . . . 10.0 111.465 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' B' ' 4' ' ' PHE . 41.4 m -74.26 93.5 2.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.097 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -87.52 110.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.724 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 72.4 p -79.8 154.64 28.32 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' B' ' 29' ' ' LYS . 43.8 tp -149.65 143.53 25.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.68 123.63 26.91 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.585 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -155.03 157.61 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.76 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' B' ' 18' ' ' GLU . 1.6 pm0 -117.08 159.75 39.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.214 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.03 -27.3 84.63 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.556 2.171 . . . . 10.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -86.4 -3.82 59.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.45 145.78 45.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.11 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 26.0 p -90.37 163.8 14.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.72 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 27.1 mm -71.44 -34.94 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.03 -31.34 71.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.176 0.512 . . . . 10.0 109.624 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -46.27 -32.53 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.448 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' HZ3' HH22 ' B' ' 72' ' ' ARG . 55.7 mttt -72.82 -40.62 65.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.811 0.339 . . . . 10.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.8 -0.25 20.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.673 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HB2' HD21 ' B' ' 15' ' ' LEU . 98.2 mttt -101.3 -20.75 15.09 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.1 -32.28 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.056 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.432 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 57.3 tt0 -76.61 -7.61 55.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.987 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.97 -13.66 16.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.327 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.4 -18.57 7.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.287 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -125.28 -20.61 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.95 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.99 64.23 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.081 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mt -93.27 121.1 66.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.607 0.203 . . . . 10.0 110.719 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.12 128.6 30.41 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.611 2.207 . . . . 10.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 50.9 Cg_exo -55.98 -37.62 95.86 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.779 2.319 . . . . 10.0 112.452 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.15 -5.41 13.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -126.61 20.32 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -115.06 104.94 12.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.914 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -95.34 111.9 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.2 mt -101.78 103.21 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 10.0 111.714 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.684 HG22 ' N ' ' B' ' 45' ' ' PHE . 4.0 mp -83.38 173.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.368 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.684 ' N ' HG22 ' B' ' 44' ' ' ILE . 73.8 t80 176.25 116.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.32 28.03 5.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.675 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.23 44.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.825 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' B' ' 48' ' ' LYS . 3.3 mmmp? -149.74 117.7 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.715 0.293 . . . . 10.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.6 142.55 33.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.109 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' B' ' 45' ' ' PHE . 2.4 mp -90.59 115.65 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.486 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.529 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 26.7 tt0 -75.01 127.79 34.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.424 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.6 m-20 -58.49 -5.81 0.59 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.529 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -102.44 14.34 56.64 Favored Glycine 0 N--CA 1.43 -1.724 0 CA-C-N 114.623 -1.171 . . . . 10.0 114.479 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -134.08 161.13 35.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.108 0.454 . . . . 10.0 111.066 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 64.5 p -100.27 167.23 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.284 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.07 -48.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 10.0 109.959 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.8 m -48.65 -31.83 7.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.564 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.75 -57.43 12.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.992 0.425 . . . . 10.0 110.113 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -86.57 17.01 4.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.1 t30 48.54 46.25 20.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.737 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' B' ' 45' ' ' PHE . 33.1 mt -82.48 105.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -90.39 -175.55 4.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.42 157.65 35.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 61.19 25.47 15.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.623 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -87.16 141.99 28.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.614 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 59.6 p -102.44 106.69 17.48 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 67' ' ' LEU . 5.9 mp -99.12 131.05 45.44 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.377 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -89.19 136.48 33.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 10.0 111.055 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.454 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.9 tt -114.82 122.91 47.81 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.31 147.62 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.829 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.53 167.22 17.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.257 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.409 HH22 ' HZ3' ' B' ' 27' ' ' LYS . 64.8 mtt180 -120.38 72.79 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.29 -170.82 3.36 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.715 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 62.0 -83.75 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.0 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -159.05 10.0 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.112 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.393 -1.226 . . . . 10.0 112.387 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.67 0.271 . . . . 10.0 111.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 57' ' ' ILE . 30.7 t70 -84.68 152.1 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.28 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.76 ' HB2' HG21 ' A' ' 29' ' ' VAL . 8.6 m-85 -136.03 167.13 21.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.411 0.624 . . . . 10.0 111.609 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.71 117.5 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.676 HG21 HD12 ' A' ' 20' ' ' ILE . 7.7 p -99.92 107.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -177.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.4 tt0 -98.85 98.44 9.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.396 -0.922 . . . . 10.0 108.991 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CG ' ' CD2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 10.0 109.456 178.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.9 23.21 12.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.826 0.346 . . . . 10.0 110.91 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 15.7 t80 -53.2 130.49 34.7 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.12 128.81 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.32 119.46 5.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.934 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG23 ' ND1' ' A' ' 14' ' ' HIS . 3.0 m -102.37 4.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.489 ' ND1' HG23 ' A' ' 13' ' ' VAL . 63.2 m80 -153.29 172.85 16.38 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.49 -48.23 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -74.09 0.95 12.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.717 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 135.92 42.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.725 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.57 145.89 27.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.795 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -89.67 114.19 25.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 6' ' ' VAL . 10.3 pt -108.74 125.5 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.795 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -113.12 149.68 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.551 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.603 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 33.4 m -47.01 124.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -12.87 61.29 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.718 -0.674 . . . . 10.0 113.5 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.603 ' HG2' HD11 ' A' ' 42' ' ' LEU . 10.8 tp10 -60.5 151.22 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 10.0 110.486 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.96 121.33 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.514 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 49' ' ' PHE . 20.2 mt -101.5 119.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -76.08 144.64 40.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 10.0 112.008 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 46.6 61.14 2.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.471 -0.786 . . . . 10.0 113.094 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.76 HG21 ' HB2' ' A' ' 4' ' ' TYR . 87.4 t -81.84 121.67 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.197 -0.298 . . . . 10.0 110.197 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -127.74 143.95 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.849 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -77.01 131.09 38.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 39' ' ' GLU . 4.0 mm? -92.47 179.69 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.182 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -74.05 -13.87 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 4.0 mm-40 -93.98 129.58 40.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 128.13 34.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.157 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 80.32 12.38 83.19 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.863 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.4 m95 -120.39 124.48 45.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.351 . . . . 10.0 110.43 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 30.0 mt -126.88 151.12 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.569 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 14.6 tp10 -115.35 138.69 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.26 178.95 38.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.091 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -111.47 115.72 29.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.881 0.372 . . . . 10.0 110.357 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.3 tt -134.59 129.12 34.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.691 ' N ' HD23 ' A' ' 42' ' ' LEU . 64.5 t30 61.32 29.58 18.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.59 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.52 -15.2 42.32 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.707 -0.758 . . . . 10.0 113.414 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 4.8 tpm_? -110.7 130.06 55.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 10.0 110.527 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -89.3 131.04 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.948 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.44 167.6 33.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.411 -0.899 . . . . 10.0 113.246 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 39' ' ' GLU . 24.4 mmt -85.3 146.92 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.292 . . . . 10.0 110.432 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 54' ' ' VAL . 3.4 p90 -147.99 152.68 40.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.311 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 35.1 Cg_exo -59.78 137.8 78.96 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.774 2.316 . . . . 10.0 112.605 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 53' ' ' PHE . 5.7 p-10 -68.31 -41.34 81.03 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -70.27 14.22 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 2.4 m-85 -118.65 -28.64 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.7 t -103.19 149.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.226 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -134.81 131.73 37.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.421 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -49.86 137.72 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.126 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.607 HG22 ' O ' ' A' ' 3' ' ' ASP . 17.7 tt -78.02 130.72 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.387 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.339 -0.839 . . . . 10.0 110.665 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.544 0.211 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -115.13 158.02 22.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.444 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' B' ' 14' ' ' THR . 41.4 pt -141.93 143.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.79 113.25 26.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.824 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.9 t -94.03 142.03 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.839 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -95.35 122.17 37.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.367 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' B' ' 8' ' ' LEU . 62.2 m -103.54 129.89 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.73 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 82.3 mt -34.79 -64.35 0.26 Allowed 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.893 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.2 m -37.78 -60.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.219 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.5 22.94 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.426 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -111.47 120.62 42.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -84.58 86.75 7.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.579 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mm -82.3 109.21 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.695 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 50.5 m -81.24 151.98 27.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.574 -0.898 . . . . 10.0 108.574 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.403 HD11 HD11 ' B' ' 3' ' ' ILE . 4.2 pp -147.72 147.46 29.95 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.22 130.54 39.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.592 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.414 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.1 p -164.24 157.44 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.941 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG22 ' B' ' 17' ' ' VAL . 7.5 mp0 -119.7 161.15 39.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.306 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.65 -24.44 75.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.572 2.181 . . . . 10.0 112.772 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -88.35 -10.35 49.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.684 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.33 147.44 51.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 111.183 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -90.74 165.75 13.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 36.2 mm -72.68 -38.55 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.955 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -56.3 -35.93 68.1 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.308 0.575 . . . . 10.0 109.527 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -68.71 -58.15 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.01 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -45.74 -33.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.542 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.24 -46.35 77.43 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.996 0.427 . . . . 10.0 110.02 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.85 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.989 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -49.65 -30.34 8.84 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.519 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -81.44 -36.03 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 10.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -77.74 -6.02 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.122 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.17 -6.87 17.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.2 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -125.69 -21.42 4.45 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.185 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -125.81 -13.99 6.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.092 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.08 34.15 80.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.26 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.2 mt -99.96 120.97 55.62 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.24 135.55 69.45 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.5 2.133 . . . . 10.0 112.395 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.58 -36.27 54.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.629 2.22 . . . . 10.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.24 -4.88 19.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.63 19.73 7.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.946 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.31 100.76 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -97.06 117.53 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.766 HD12 HD22 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -110.65 118.2 35.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.307 -179.027 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.52 ' N ' HD13 ' B' ' 43' ' ' LEU . 11.0 mm -121.67 128.81 75.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' B' ' 50' ' ' LEU . 74.2 t80 -134.51 135.03 42.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.906 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.18 23.73 12.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.902 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.99 35.33 35.18 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.765 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -157.47 120.11 3.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.415 ' HA ' HD13 ' B' ' 44' ' ' ILE . 14.7 pt20 -54.54 141.37 31.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.264 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.766 HD22 HD12 ' B' ' 43' ' ' LEU . 7.3 mp -91.13 119.29 31.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.57 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 53' ' ' GLY . 0.5 OUTLIER -79.47 129.47 34.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.314 -178.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.479 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.8 m-20 -57.65 -7.67 0.72 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -99.63 11.31 61.17 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 114.755 -1.111 . . . . 10.0 114.332 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.518 ' HE ' ' CG ' ' B' ' 58' ' ' ASP . 27.1 mmm180 -134.54 162.18 33.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.162 0.481 . . . . 10.0 111.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 46.8 p -100.12 168.51 9.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.595 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.62 -45.25 85.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.073 0.463 . . . . 10.0 110.134 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.6 p -50.56 -31.68 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.433 -0.803 . . . . 10.0 111.864 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.518 ' CG ' ' HE ' ' B' ' 54' ' ' ARG . 39.0 t70 -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 110.504 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -99.7 23.4 9.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.497 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.9 m120 41.93 36.92 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.24 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -78.46 105.59 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 10.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -92.12 -175.06 3.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.8 159.05 28.88 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.864 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 58.41 29.6 18.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.423 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -70.59 -159.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.969 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -160.04 88.17 0.81 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.09 0.471 . . . . 10.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' B' ' 43' ' ' LEU . 25.1 mt -79.78 157.51 27.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.23 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -117.24 115.8 26.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.889 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 tt -101.37 113.54 26.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 10.0 111.013 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.41 ' HA ' HD21 ' B' ' 8' ' ' LEU . 19.2 m -125.05 -172.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.801 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.5 ' C ' HD12 ' B' ' 71' ' ' LEU . 3.6 pp -145.55 -171.49 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.907 0.384 . . . . 10.0 111.41 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -56.09 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.838 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 tp -126.9 118.39 24.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.671 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -117.23 -59.26 1.97 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.217 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.15 49.19 44.5 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.922 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.264 -1.298 . . . . 10.0 112.664 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.746 0.308 . . . . 10.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.18 150.61 26.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.267 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 5.6 m-85 -120.91 160.52 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.371 0.605 . . . . 10.0 112.234 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.634 HG23 HG21 ' A' ' 57' ' ' ILE . 3.5 pt -120.04 117.95 55.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.931 HG12 HG12 ' A' ' 54' ' ' VAL . 4.8 m -99.8 106.12 18.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 12.0 mm-40 -103.26 95.63 6.23 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 118.775 -1.17 . . . . 10.0 108.354 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.423 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -179.06 178.81 0.71 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.488 178.811 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 8.2 p-10 -117.25 103.77 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 73.0 t80 -128.54 121.26 28.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.392 . . . . 10.0 111.498 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -101.19 117.55 35.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.341 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 118.67 3.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 10.0 110.64 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG23 ' ND1' ' A' ' 14' ' ' HIS . 6.6 m -88.16 -10.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.049 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.445 ' ND1' HG23 ' A' ' 13' ' ' VAL . 65.0 m80 -148.18 172.44 14.31 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.544 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.82 -43.45 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.58 -9.48 58.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.25 138.63 31.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.727 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 42' ' ' LEU . 21.9 tp -101.85 134.58 44.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.379 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.562 ' O ' HD23 ' A' ' 42' ' ' LEU . 7.7 t -86.19 114.62 23.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.764 ' HB ' HG21 ' A' ' 6' ' ' VAL . 29.2 pt -110.67 120.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -115.51 154.14 29.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.604 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.8 t -47.06 123.83 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.32 -17.36 57.48 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.787 -0.642 . . . . 10.0 114.023 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -71.72 122.2 20.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 10.0 111.386 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.463 HG12 HG22 ' A' ' 5' ' ' ILE . 20.5 mt -91.15 127.16 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.068 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.692 ' CD1' HD22 ' A' ' 42' ' ' LEU . 3.5 mm -96.44 124.28 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 28' ' ' ASN . 6.0 mmp_? -47.98 157.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.351 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 27' ' ' ARG . 19.7 p-10 -20.61 104.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.735 0.647 . . . . 10.0 111.714 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 3.0 m -89.43 150.08 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.735 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -127.87 127.93 44.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.395 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -59.37 130.8 48.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.525 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.607 HD11 ' SD ' ' A' ' 48' ' ' MET . 44.6 mt -91.37 172.41 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.671 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -74.16 -7.25 51.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.367 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' B' ' 8' ' ' LEU . 57.4 mt-10 -100.45 130.33 46.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 19.2 tt0 -63.66 125.36 24.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.428 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 84.65 8.87 82.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.011 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.4 m0 -123.06 124.92 44.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 10.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 37' ' ' TRP . 9.1 mp -122.41 155.98 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.262 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.507 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tm-20 -115.97 138.63 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.66 174.64 40.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.018 -0.611 . . . . 10.0 111.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 6.0 mp0 -111.88 116.45 30.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 10.0 110.993 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.692 HD22 ' CD1' ' A' ' 26' ' ' ILE . 54.8 tp -134.8 133.39 39.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.022 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 62.04 29.46 17.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.613 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.69 -5.23 65.64 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.691 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -113.76 130.14 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.879 0.339 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.7 129.74 36.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.17 174.05 36.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.181 -1.009 . . . . 10.0 113.443 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.607 ' SD ' HD11 ' A' ' 32' ' ' LEU . 5.9 mmt -92.41 146.88 23.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.65 -0.275 . . . . 10.0 110.362 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CD1' HG11 ' A' ' 54' ' ' VAL . 10.8 p90 -148.1 148.29 29.1 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.431 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 47.4 Cg_exo -57.6 140.57 93.82 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.715 2.277 . . . . 10.0 112.251 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.34 -34.36 70.44 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.05 8.98 1.33 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 18.9 m-30 -122.37 -1.82 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.0 0.429 . . . . 10.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.931 HG12 HG12 ' A' ' 6' ' ' VAL . 5.1 m -127.17 146.68 32.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -128.56 125.2 37.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.284 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . 42.0 tt0 -61.19 125.31 23.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.041 0.385 . . . . 10.0 112.041 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.634 HG21 HG23 ' A' ' 5' ' ' ILE . 4.8 tp -123.32 109.49 23.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.452 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.76 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.519 0.2 . . . . 10.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -108.91 157.52 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.506 HD13 HG11 ' B' ' 17' ' ' VAL . 25.7 pt -144.68 139.9 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 10.0 111.637 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -81.88 159.7 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' B' ' 13' ' ' ILE . 55.4 t -150.62 94.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 10.0 111.106 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -54.92 124.65 17.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.542 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -107.14 130.32 54.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.441 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 96.7 mt -38.87 -50.26 1.7 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.813 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -50.96 -60.44 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 10.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 157.51 7.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.666 -0.778 . . . . 10.0 113.039 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -86.97 157.86 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 10.0 111.537 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.3 m -96.64 -38.25 10.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.032 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.457 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.6 pt 38.61 87.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 3' ' ' ILE . 95.0 m -96.9 113.57 25.12 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.195 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.634 ' H ' HD23 ' B' ' 15' ' ' LEU . 2.5 pt? -107.2 158.24 17.26 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.85 136.09 37.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.842 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.506 HG11 HD13 ' B' ' 3' ' ' ILE . 7.9 p -165.2 160.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.09 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.433 ' N ' HG22 ' B' ' 17' ' ' VAL . 18.0 mt-10 -118.9 162.7 29.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.079 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -62.04 -27.58 79.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 10.0 112.3 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -85.8 -9.45 57.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.838 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -70.4 149.0 47.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.724 0.297 . . . . 10.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -92.16 166.63 12.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.088 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.514 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.3 mm -73.63 -34.28 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.25 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.64 -33.42 73.9 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -71.57 -55.66 7.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.033 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.455 ' O ' HG12 ' B' ' 30' ' ' ILE . 24.6 t -46.96 -33.15 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.26 -0.882 . . . . 10.0 111.33 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -73.54 -32.36 64.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.887 0.375 . . . . 10.0 110.717 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' B' ' 31' ' ' GLN . . . -82.02 -1.87 49.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.93 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -99.3 -20.71 16.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 36' ' ' ILE . 20.0 mm -87.21 -34.23 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.049 -0.978 . . . . 10.0 109.112 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HG3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -77.97 -4.58 47.7 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.084 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.04 -10.91 15.78 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -125.76 -12.62 6.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.483 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -133.08 -16.42 2.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.739 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 36.32 87.0 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.527 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 30' ' ' ILE . 14.0 tt -102.61 120.22 53.58 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.745 0.272 . . . . 10.0 110.514 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 58.2 Cg_exo -52.41 132.8 46.27 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.568 2.179 . . . . 10.0 112.611 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.8 Cg_exo -60.92 -36.8 81.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.635 2.224 . . . . 10.0 111.993 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.42 -14.58 61.24 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.407 ' HA ' ' NH1' ' B' ' 72' ' ' ARG . 80.8 mt-30 -104.4 -28.06 11.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.365 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.61 111.3 5.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.871 . . . . 10.0 112.985 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.553 ' HE ' HH21 ' B' ' 72' ' ' ARG . 26.6 ttm-85 -110.64 119.1 38.03 Favored 'General case' 0 C--N 1.334 -0.074 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.12 126.3 53.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' B' ' 42' ' ' ARG . 4.4 mp -127.21 127.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.694 0.283 . . . . 10.0 110.517 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -132.91 133.92 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.05 22.38 11.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.547 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 82.13 21.98 59.93 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.491 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -141.03 119.18 12.01 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.948 0.404 . . . . 10.0 111.131 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.47 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 22.5 mp0 -57.56 130.97 48.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.537 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 50' ' ' LEU . 5.3 mp -80.07 123.84 28.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.917 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' B' ' 53' ' ' GLY . 7.2 mm-40 -82.71 130.52 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.969 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.514 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.4 p-10 -57.91 -5.39 0.42 Allowed 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.51 11.53 58.1 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 114.57 -1.196 . . . . 10.0 114.461 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.62 -171.81 2.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.156 0.478 . . . . 10.0 111.371 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.521 ' C ' ' H ' ' B' ' 57' ' ' SER . 25.2 p -129.93 160.18 34.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.768 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.443 ' N ' HD12 ' B' ' 56' ' ' LEU . 7.2 mp -67.11 12.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.521 ' H ' ' C ' ' B' ' 55' ' ' THR . 81.3 p -108.31 -27.9 9.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.09 -36.84 82.86 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.15 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -100.28 20.08 15.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.428 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 t30 43.1 41.19 2.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -81.31 104.89 10.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.781 0.324 . . . . 10.0 111.451 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -91.05 -177.14 4.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.197 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 53.0 tttm -66.77 159.79 27.22 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.67 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' B' ' 63' ' ' LYS . 41.9 mt-10 58.67 28.42 17.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.381 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -96.3 147.5 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.355 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -87.2 155.21 20.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.237 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' B' ' 3' ' ' ILE . 97.1 mt -148.41 113.01 5.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -77.09 124.22 27.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 tp -108.87 116.05 31.24 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.554 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 m -125.12 173.95 10.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.968 0.413 . . . . 10.0 111.891 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.449 ' HG ' ' H ' ' B' ' 72' ' ' ARG . 15.5 tp -116.47 -132.61 0.33 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.034 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.553 HH21 ' HE ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -91.98 -57.87 2.59 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.627 0.251 . . . . 10.0 110.931 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.637 ' C ' HD22 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -162.75 4.45 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.492 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -48.42 135.82 13.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.113 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.12 25.07 29.08 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.464 -1.186 . . . . 10.0 112.416 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.878 0.371 . . . . 10.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 57' ' ' ILE . 6.6 m-20 -151.34 150.41 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.678 ' HB2' HG21 ' A' ' 29' ' ' VAL . 6.0 m-85 -130.35 164.67 24.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 110.972 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 HD11 ' HA2' ' A' ' 23' ' ' GLY . 1.8 tp -119.52 116.39 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 20' ' ' ILE . 8.4 t -99.64 105.46 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 44.1 tt0 -102.39 95.71 6.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 107.842 -1.169 . . . . 10.0 107.842 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.518 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -176.82 163.06 2.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.297 -1.319 . . . . 10.0 109.594 178.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -115.42 111.97 21.61 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' HB3' HG13 ' A' ' 20' ' ' ILE . 9.4 t80 -142.43 132.74 24.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.954 0.407 . . . . 10.0 111.18 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -103.54 121.8 43.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.363 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.0 119.07 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.089 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' ND1' ' A' ' 14' ' ' HIS . 33.1 m -100.03 -19.7 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.537 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 50.9 m80 -118.86 162.19 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.31 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.623 ' H ' HH22 ' B' ' 72' ' ' ARG . 3.7 m-20 -67.55 -35.3 78.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.426 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -85.9 7.41 24.26 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.892 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 11.0 mm-40 -105.2 136.17 45.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.054 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 42' ' ' LEU . 17.6 tp -100.23 146.71 26.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.446 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.5 m -88.68 114.09 24.93 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.714 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.1 pp -111.6 132.06 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -120.81 149.62 42.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.175 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.0 m -48.12 123.86 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 5' ' ' ILE . . . 97.31 -21.29 46.96 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.638 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.29 120.84 19.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.864 0.332 . . . . 10.0 111.46 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.712 HD13 ' H ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -91.96 131.89 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.866 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 29' ' ' VAL . 50.1 mt -98.67 126.95 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.572 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -77.7 144.45 37.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 10.0 111.862 -179.122 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 53.19 50.97 16.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.208 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 4' ' ' TYR . 65.8 t -78.74 115.26 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.46 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -129.54 140.57 51.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -75.45 127.02 32.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 39' ' ' GLU . 3.7 mm? -86.44 -178.42 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.483 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 4.9 pm0 -81.25 0.1 38.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.142 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.18 132.17 46.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 24.2 tt0 -68.16 121.76 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.66 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.89 10.61 80.7 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.944 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' HG2' ' A' ' 48' ' ' MET . 0.1 OUTLIER -125.04 124.64 42.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 10.0 110.786 179.771 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 48' ' ' MET . 19.7 mt -127.09 151.81 48.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' HD21 ' A' ' 32' ' ' LEU . 39.0 tt0 -115.31 142.64 46.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 10.0 110.718 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -167.97 -177.79 39.47 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.772 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.15 116.31 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.967 0.413 . . . . 10.0 110.646 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' CB ' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -132.66 130.9 40.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.847 179.558 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.521 ' N ' HD23 ' A' ' 42' ' ' LEU . 88.0 m-20 59.71 29.34 18.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.671 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.1 -19.44 22.1 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.3 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -98.42 130.38 45.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.388 . . . . 10.0 111.439 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -91.7 122.63 34.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.395 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.72 166.79 32.98 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.984 . . . . 10.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 11.3 tpp -83.91 147.58 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.609 -0.295 . . . . 10.0 110.359 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.486 ' CD1' HG11 ' A' ' 54' ' ' VAL . 2.7 p90 -146.5 155.28 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.83 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 24.6 Cg_exo -62.66 137.31 63.13 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.487 2.124 . . . . 10.0 112.228 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.41 -38.11 84.12 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.13 13.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.603 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 3.3 m-85 -117.54 -25.74 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.978 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 HG22 ' A' ' 6' ' ' VAL . 3.2 m -102.03 150.36 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.7 123.69 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.976 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 11.3 pt-20 -44.72 137.15 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 10.0 111.709 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 3' ' ' ASP . 8.4 tp -76.12 129.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -0.816 . . . . 10.0 110.638 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.604 0.24 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.73 156.91 19.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.3 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.496 ' O ' HG23 ' B' ' 14' ' ' THR . 32.2 pt -120.02 -160.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.3 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -159.16 94.04 1.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.102 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.54 136.38 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.528 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -97.06 120.97 38.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.036 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.8 p -103.7 131.47 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.65 0.262 . . . . 10.0 110.91 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -38.12 -52.5 1.43 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -44.23 -58.16 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.244 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.564 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.71 25.33 0.1 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.782 -0.723 . . . . 10.0 113.104 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.51 132.89 56.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.3 p -94.64 82.47 3.96 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 13' ' ' ILE . 16.7 pt -80.06 106.71 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-O 121.489 0.661 . . . . 10.0 111.219 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' B' ' 3' ' ' ILE . 18.4 m -79.55 158.63 27.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 107.686 -1.227 . . . . 10.0 107.686 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.718 HD21 ' HB2' ' B' ' 29' ' ' LYS . 42.9 tp -152.75 146.89 25.46 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.188 0.449 . . . . 10.0 112.01 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -75.2 134.49 41.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.282 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.505 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.2 p -166.33 163.32 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.937 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.505 ' N ' HG22 ' B' ' 17' ' ' VAL . 29.4 mt-10 -126.2 159.36 62.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.239 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.32 -26.85 72.63 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.368 2.045 . . . . 10.0 112.66 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -86.31 -15.28 41.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.898 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 143.52 57.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.878 0.37 . . . . 10.0 111.536 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -86.51 163.94 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.65 HD13 ' HB3' ' B' ' 50' ' ' LEU . 44.8 mt -72.92 -32.74 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.509 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.6 -30.67 71.75 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.289 0.566 . . . . 10.0 109.514 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.94 -56.95 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.188 -0.914 . . . . 10.0 108.72 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 71.6 t -45.91 -33.85 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.07 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -66.79 -45.52 78.16 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.494 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -56.11 -51.86 66.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.324 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.718 ' HB2' HD21 ' B' ' 15' ' ' LEU . 32.0 mmmt -51.6 -31.85 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.91 . . . . 10.0 112.244 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.572 ' HB ' HE22 ' B' ' 41' ' ' GLN . 29.3 mm -75.83 -40.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.494 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 3.6 pt20 -77.58 -0.86 28.03 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.692 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -108.77 -5.09 16.44 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -133.01 -10.32 3.0 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.076 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.467 ' CG ' HD13 ' B' ' 36' ' ' ILE . 26.5 tt0 -135.18 -18.47 1.77 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.49 32.44 64.74 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.528 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.467 HD13 ' CG ' ' B' ' 34' ' ' GLU . 1.5 mp -100.21 116.62 64.31 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.886 0.343 . . . . 10.0 110.773 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.6 Cg_exo -52.16 132.92 45.47 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.81 2.34 . . . . 10.0 112.811 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.9 Cg_exo -59.26 -38.97 82.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.807 2.338 . . . . 10.0 112.328 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.35 2.83 3.4 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.162 0.506 . . . . 10.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.61 19.78 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.284 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.572 HE22 ' HB ' ' B' ' 30' ' ' ILE . 8.5 tt0 -118.94 100.62 7.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.893 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 14' ' ' HIS . 20.9 mmt180 -96.34 122.88 39.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.734 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.64 121.95 46.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.158 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mt -122.68 128.55 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.314 . . . . 10.0 110.649 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -134.22 131.19 38.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.74 9.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.991 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.15 31.29 31.95 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.569 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.72 115.18 4.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 10.0 110.725 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -53.75 135.59 41.16 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' B' ' 23' ' ' ILE . 86.7 mt -84.59 119.18 24.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.587 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -77.11 123.29 26.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.192 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.09 -19.63 0.08 Allowed 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.864 0.84 . . . . 10.0 108.766 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.544 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -65.97 -74.1 0.55 Allowed Glycine 0 N--CA 1.422 -2.278 0 CA-C-N 113.854 -1.521 . . . . 10.0 112.818 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -58.29 168.89 0.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.2 t -105.04 176.19 5.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 113.863 -1.517 . . . . 10.0 109.979 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.24 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 10.0 110.397 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -50.73 -32.64 20.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.703 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.28 -52.01 67.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.096 0.474 . . . . 10.0 109.972 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -89.56 25.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.935 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 39.6 35.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.881 -0.599 . . . . 10.0 112.226 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -74.67 108.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -94.14 -177.68 4.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -69.05 157.08 37.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.126 0.489 . . . . 10.0 111.859 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.49 26.2 15.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.305 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 t -95.54 148.97 21.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.401 ' C ' HD12 ' B' ' 67' ' ' LEU . 10.2 t -87.49 153.81 21.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.663 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.401 HD12 ' C ' ' B' ' 66' ' ' THR . 5.5 mp -145.46 110.37 5.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -74.09 118.22 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.471 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.0 tt -103.15 112.91 25.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.398 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.499 HG12 ' N ' ' B' ' 71' ' ' LEU . 58.7 t -112.63 159.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.596 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.499 ' N ' HG12 ' B' ' 70' ' ' VAL . 4.5 tt -128.97 -69.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.424 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.623 HH22 ' H ' ' A' ' 15' ' ' ASP . 4.6 tpm_? -158.59 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.477 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 tp -162.86 86.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.571 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' H ' ' B' ' 76' ' ' GLY . 30.5 tpt85 -103.25 129.08 50.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.519 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.19 39.07 3.04 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.06 -0.591 . . . . 10.0 112.879 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.418 ' H ' ' HG3' ' B' ' 74' ' ' ARG . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.416 -1.213 . . . . 10.0 112.586 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.76 0.314 . . . . 10.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 57' ' ' ILE . 5.1 p-10 -84.69 165.86 17.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.622 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.763 ' HB2' HG21 ' A' ' 29' ' ' VAL . 5.0 m-85 -130.37 165.7 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 tp -120.75 117.13 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.32 -1.363 . . . . 10.0 107.32 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.655 HG22 HG12 ' A' ' 54' ' ' VAL . 15.4 t -102.69 105.29 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 N-CA-C 112.806 0.669 . . . . 10.0 112.806 -176.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 42.3 mt-10 -102.66 95.62 6.33 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.434 -1.321 . . . . 10.0 107.434 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -177.33 168.99 2.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.334 -1.303 . . . . 10.0 109.492 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 9.5 m-20 -117.57 110.54 18.06 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB3' HG12 ' A' ' 20' ' ' ILE . 33.3 t80 -140.81 133.16 28.3 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.03 0.443 . . . . 10.0 111.453 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.02 125.74 51.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.14 119.58 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.23 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 t -85.96 -16.62 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.009 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -139.68 172.66 12.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.326 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.37 -44.1 68.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.929 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' H ' ' CD2' ' B' ' 73' ' ' LEU . 7.8 p-10 -66.5 -1.67 3.84 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.794 0.33 . . . . 10.0 110.499 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -106.37 136.19 46.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.07 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' HA ' HH21 ' A' ' 45' ' ' ARG . 0.5 OUTLIER -98.61 143.92 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.522 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -89.73 114.64 26.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.549 HD12 HG11 ' A' ' 6' ' ' VAL . 2.1 pt -114.18 129.54 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.636 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -117.55 154.31 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.35 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 52.8 t -48.54 123.59 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.234 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.03 -17.81 58.61 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.032 -0.604 . . . . 10.0 113.529 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 118.75 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 10.0 111.234 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 pt -91.92 133.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.295 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 34.9 mt -99.6 127.21 52.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.597 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -71.99 145.7 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.713 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 40.77 63.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.539 -0.755 . . . . 10.0 113.034 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.763 HG21 ' HB2' ' A' ' 4' ' ' TYR . 54.1 t -83.79 124.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 10.0 110.484 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -131.33 140.8 49.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.637 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 31' ' ' LYS . 2.4 mppt? -67.45 133.2 49.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.989 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 34.0 tp -89.54 170.5 10.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.369 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.445 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 12.8 mm100 -74.16 -1.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.403 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.0 135.53 48.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.727 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.615 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 18.5 tt0 -65.55 120.18 12.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.22 13.35 68.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.424 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CZ2' HG12 ' B' ' 70' ' ' VAL . 70.1 m95 -122.74 125.22 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 10.0 110.804 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -130.62 150.85 51.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.79 140.42 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.792 0.329 . . . . 10.0 110.656 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -165.83 -179.47 39.44 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.683 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.87 116.28 27.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 10.0 110.648 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.16 134.66 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 61.65 29.26 18.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.99 16.55 80.6 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.019 -0.61 . . . . 10.0 113.658 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.446 HH21 ' HA ' ' A' ' 18' ' ' LEU . 51.5 ttp85 -138.55 133.66 32.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.722 0.296 . . . . 10.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 16.9 ptm180 -87.96 123.83 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 161.37 29.28 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.762 -0.732 . . . . 10.0 112.833 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -85.43 146.86 26.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 10.0 110.319 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.663 ' CD1' HG11 ' A' ' 54' ' ' VAL . 1.4 p90 -141.9 157.38 64.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.411 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 15.5 Cg_exo -67.96 136.37 37.97 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.641 2.227 . . . . 10.0 111.925 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.13 -35.96 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -73.66 15.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' O ' HG13 ' A' ' 6' ' ' VAL . 4.6 m-85 -123.9 -28.74 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.159 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.663 HG11 ' CD1' ' A' ' 49' ' ' PHE . 4.4 m -102.69 147.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.812 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -132.4 127.27 35.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.293 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -44.18 139.59 2.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.372 . . . . 10.0 111.641 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 3' ' ' ASP . 10.5 tp -73.83 128.08 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.46 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.793 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.481 0.182 . . . . 10.0 111.069 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -110.32 156.03 21.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.83 0.348 . . . . 10.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.733 ' O ' HD12 ' B' ' 3' ' ' ILE . 2.1 pp -140.16 145.0 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.474 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -102.88 114.96 29.67 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.14 141.83 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.479 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.38 119.3 36.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.435 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -100.19 130.86 46.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.862 0.363 . . . . 10.0 111.528 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.773 ' H ' HD12 ' B' ' 8' ' ' LEU . 2.3 mp -40.53 -47.96 2.76 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 10.0 112.153 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 m -53.87 -53.42 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 10.0 110.771 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.615 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 144.04 22.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.111 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -112.59 129.01 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 10.0 111.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -95.73 89.28 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.507 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 mm -86.84 109.58 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.314 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 1.9 t -96.09 111.95 23.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.484 ' N ' HD12 ' B' ' 15' ' ' LEU . 5.0 mp -103.16 160.0 15.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -78.12 138.84 38.93 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.4 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.454 HG22 ' N ' ' B' ' 18' ' ' GLU . 10.8 p -166.16 159.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 10.0 111.427 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.454 ' N ' HG22 ' B' ' 17' ' ' VAL . 35.9 mt-10 -119.92 158.33 50.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.18 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' B' ' 18' ' ' GLU . 18.1 Cg_endo -59.62 -26.82 83.31 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.421 2.08 . . . . 10.0 112.334 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -86.86 -9.59 55.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.614 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.44 146.88 52.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 10.0 111.208 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.1 p -89.61 166.05 13.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.142 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 26.1 mm -74.98 -34.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.866 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.11 -35.74 75.91 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -68.81 -60.09 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.286 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.446 HG12 ' O ' ' B' ' 23' ' ' ILE . 0.3 OUTLIER -44.98 -29.49 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.073 178.606 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.68 -44.8 76.92 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.14 50.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -47.58 -30.9 3.95 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.3 mm -76.64 -39.9 32.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.889 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -79.42 -1.58 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -108.92 -11.24 15.02 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.114 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -130.31 -2.98 4.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.141 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' B' ' 36' ' ' ILE . 18.6 tt0 -138.03 -21.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.527 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.51 27.97 66.54 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 121.151 -0.547 . . . . 10.0 113.483 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.487 HD13 ' HG2' ' B' ' 34' ' ' GLU . 1.6 mp -98.4 120.3 59.69 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.797 0.298 . . . . 10.0 110.758 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.24 139.72 62.89 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.626 2.218 . . . . 10.0 112.225 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.95 -37.11 27.83 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.484 2.122 . . . . 10.0 111.926 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -67.35 -12.24 59.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.815 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.32 19.69 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.099 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.63 97.11 5.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.351 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -94.33 119.44 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.618 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.0 116.38 29.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.335 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' B' ' 68' ' ' HIS . 26.9 pt -119.5 130.45 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -134.92 133.87 40.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 16.32 8.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 89.75 11.9 63.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.96 -0.638 . . . . 10.0 112.934 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -131.25 121.13 24.24 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.758 0.313 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -60.74 126.62 28.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -75.74 124.21 26.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.557 ' HG3' ' H ' ' B' ' 53' ' ' GLY . 8.6 tp10 -82.98 131.72 35.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.776 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.8 m-20 -60.68 -2.28 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.524 0.678 . . . . 10.0 109.453 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.557 ' H ' ' HG3' ' B' ' 51' ' ' GLU . . . -103.1 10.2 54.99 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 114.736 -1.12 . . . . 10.0 113.705 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -134.14 159.53 40.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 10.0 111.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 66.0 p -97.69 169.65 9.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.42 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.01 -44.55 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 10.0 109.952 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -48.62 -35.01 12.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.823 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.85 -48.94 79.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.053 0.454 . . . . 10.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.65 23.67 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 p30 40.55 40.49 0.91 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.008 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -79.79 105.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.464 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -90.36 -178.04 5.25 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.921 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 158.46 33.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.126 0.489 . . . . 10.0 111.895 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 61.06 28.03 17.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.1 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 82.6 p -97.65 147.16 24.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.507 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -84.09 155.69 22.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -149.53 102.59 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.445 ' HB3' ' CG1' ' B' ' 44' ' ' ILE . 7.9 t-80 -69.52 124.59 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -108.22 118.83 37.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.217 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.431 HG12 ' CZ2' ' A' ' 37' ' ' TRP . 12.9 m -126.09 177.82 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 -168.7 1.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.66 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -72.01 -161.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.529 ' C ' HD13 ' B' ' 73' ' ' LEU . 3.4 tm? -63.04 122.13 15.29 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.468 ' NH2' HD23 ' B' ' 8' ' ' LEU . 38.9 mtm105 -139.57 176.68 8.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.57 3.0 86.47 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.078 -0.582 . . . . 10.0 112.465 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.429 -1.206 . . . . 10.0 112.436 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -84.25 153.62 23.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.772 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.666 ' HB2' HG21 ' A' ' 29' ' ' VAL . 7.0 m-85 -128.27 166.68 18.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 10.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -127.56 117.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 177.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.861 HG22 HG12 ' A' ' 54' ' ' VAL . 19.9 t -98.24 107.4 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 N-CA-C 113.234 0.828 . . . . 10.0 113.234 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.0 mt-10 -100.78 94.82 6.26 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -178.08 172.89 1.55 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.33 -1.305 . . . . 10.0 109.427 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.03 110.66 15.62 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HB3' HG12 ' A' ' 20' ' ' ILE . 73.6 t80 -140.29 131.87 27.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.945 0.402 . . . . 10.0 111.034 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.03 125.27 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 119.6 6.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -92.33 -18.19 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.231 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.502 ' HE2' ' NE ' ' B' ' 72' ' ' ARG . 43.2 t-80 -137.6 175.84 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.885 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 t70 -65.65 -44.77 85.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.8 -1.12 18.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.07 135.92 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.272 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 42' ' ' LEU . 19.6 tp -104.24 138.69 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.186 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -85.57 113.19 21.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.634 HD12 HG11 ' A' ' 6' ' ' VAL . 7.0 pt -114.95 128.23 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -121.48 156.69 32.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.47 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 15.7 m -47.95 124.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 10.0 112.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.92 -21.18 40.97 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.01 -0.614 . . . . 10.0 113.686 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.26 114.87 8.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.959 0.38 . . . . 10.0 111.045 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 pt -87.96 134.13 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD13 ' CE2' ' A' ' 49' ' ' PHE . 42.1 mt -101.54 123.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.476 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -74.87 146.66 41.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.165 0.507 . . . . 10.0 111.772 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 43.69 62.12 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.437 -0.802 . . . . 10.0 113.044 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 4' ' ' TYR . 73.5 t -82.86 123.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 10.0 110.465 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -128.39 133.99 48.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 31' ' ' LYS . 2.3 mppt? -68.43 128.77 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.606 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.51 176.79 7.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.797 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -76.92 -6.68 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.405 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -96.88 131.21 43.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.409 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 20.1 tt0 -65.46 122.2 16.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.47 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.42 8.72 80.52 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.758 -0.656 . . . . 10.0 113.508 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.549 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -124.47 124.88 43.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 10.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 37' ' ' TRP . 8.5 mp -125.44 155.25 40.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.353 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp20? -115.82 146.32 42.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.759 0.314 . . . . 10.0 110.363 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -170.97 -178.29 41.43 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.061 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.34 115.96 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 10.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.8 tt -128.96 127.1 41.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.539 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' N ' HD23 ' A' ' 42' ' ' LEU . 63.4 t30 61.88 32.59 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.462 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.1 -20.11 8.94 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.118 -0.563 . . . . 10.0 113.551 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -100.29 130.29 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 10.0 110.904 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 46' ' ' ARG . 10.3 mtp180 -90.89 131.67 36.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.32 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.55 168.13 34.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.898 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.514 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 35.0 mtt -85.72 146.87 26.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' A' ' 54' ' ' VAL . 3.6 p90 -147.44 157.19 45.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.386 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 21.4 Cg_exo -65.23 137.85 53.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.65 2.233 . . . . 10.0 112.271 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 53' ' ' PHE . 11.9 p-10 -66.37 -41.65 89.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.723 0.638 . . . . 10.0 112.723 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -71.11 16.58 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.63 ' O ' HG13 ' A' ' 6' ' ' VAL . 3.4 m-85 -119.94 -27.53 5.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.949 0.404 . . . . 10.0 110.072 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.861 HG12 HG22 ' A' ' 6' ' ' VAL . 3.4 m -102.61 148.13 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.492 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -127.81 120.45 27.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.74 138.85 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.117 0.484 . . . . 10.0 112.105 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.451 HD11 ' CG2' ' A' ' 5' ' ' ILE . 23.9 mm -102.26 129.68 53.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.117 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.133 -0.937 . . . . 10.0 110.954 -179.599 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.495 0.188 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -107.67 156.69 18.79 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.632 0.253 . . . . 10.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -139.08 144.97 28.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.408 179.468 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.93 112.55 25.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 10.0 111.762 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.36 141.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.272 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -98.63 123.66 42.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -102.39 129.49 48.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.354 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.428 HD11 ' H ' ' B' ' 71' ' ' LEU . 83.5 mt -42.16 -38.07 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.434 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -59.73 -54.09 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.809 0.338 . . . . 10.0 110.462 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.465 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.76 23.5 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.985 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.02 137.93 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.439 . . . . 10.0 111.993 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -103.69 89.59 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.506 -0.77 . . . . 10.0 108.933 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 pt -81.01 116.87 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.611 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 44.0 p -90.26 124.71 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.145 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.34 147.52 46.95 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.91 130.61 37.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.752 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.412 HG22 ' N ' ' B' ' 18' ' ' GLU . 11.4 p -160.37 157.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.228 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.412 ' N ' HG22 ' B' ' 17' ' ' VAL . 35.0 mm-40 -119.31 159.61 44.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.01 -25.73 80.46 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.56 2.173 . . . . 10.0 112.35 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -88.18 -11.1 47.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.438 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.17 145.51 55.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.233 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.3 p -91.24 160.65 15.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.209 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.4 mm -67.91 -39.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.155 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.93 -33.16 66.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.99 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.89 -56.31 5.95 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.436 ' HA ' ' NZ ' ' B' ' 29' ' ' LYS . 93.7 t -45.17 -34.21 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.0 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.77 -46.94 80.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.914 0.388 . . . . 10.0 110.08 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.53 57.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.334 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' B' ' 26' ' ' VAL . 37.4 mtmm -49.58 -30.49 8.75 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.514 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -78.79 -38.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -77.41 -4.41 45.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.509 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -107.75 -10.78 15.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.103 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -124.5 -15.42 6.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.342 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -129.79 -14.39 4.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.418 -0.356 . . . . 10.0 111.106 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 35.25 88.47 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.25 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 53.4 mt -102.74 118.07 59.27 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.693 0.247 . . . . 10.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 9.8 Cg_endo -54.34 133.74 57.57 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.625 2.217 . . . . 10.0 112.723 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -59.51 -37.9 86.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.965 2.444 . . . . 10.0 112.77 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.86 -11.84 57.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.982 0.42 . . . . 10.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -118.92 21.05 12.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.438 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 22.4 mt-30 -116.12 102.53 9.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.248 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.436 ' HB2' HG13 ' B' ' 70' ' ' VAL . 57.0 mtp180 -98.03 117.98 33.59 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.493 ' N ' HD12 ' B' ' 43' ' ' LEU . 6.5 mp -110.5 119.18 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.162 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.434 ' N ' HD12 ' B' ' 44' ' ' ILE . 4.8 mp -123.03 129.2 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 10.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -136.26 133.3 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 19.67 9.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.678 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.5 30.83 32.09 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.614 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -150.21 118.12 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.022 0.439 . . . . 10.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 23.1 mp0 -56.35 132.74 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.67 125.99 30.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.335 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 34.9 tt0 -85.08 129.55 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.132 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.62 -26.57 13.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.527 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -90.73 13.78 64.85 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.136 -0.554 . . . . 10.0 113.62 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -125.22 154.41 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.684 0.278 . . . . 10.0 110.794 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.6 p -99.08 169.16 9.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.715 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.1 -44.56 87.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.47 . . . . 10.0 110.059 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -50.16 -32.8 17.11 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.619 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.055 0.455 . . . . 10.0 110.4 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -95.87 23.2 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.754 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 42.47 36.19 0.75 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.181 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -76.74 106.3 6.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 10.0 111.403 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -92.87 -179.41 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.781 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.68 157.72 33.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.113 0.483 . . . . 10.0 111.867 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.86 26.1 14.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.265 -0.88 . . . . 10.0 111.187 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -71.94 -161.35 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 32.6 p -157.49 90.47 1.1 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.846 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.4 mp -84.23 154.44 23.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -113.89 118.48 34.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.553 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.449 HD23 ' C ' ' B' ' 69' ' ' LEU . 5.1 tt -101.51 114.47 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.231 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.571 HG22 ' N ' ' B' ' 71' ' ' LEU . 12.7 p -120.49 165.51 15.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.966 0.412 . . . . 10.0 111.703 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.571 ' N ' HG22 ' B' ' 70' ' ' VAL . 6.7 tt -152.64 133.38 13.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.529 ' N ' HD23 ' B' ' 71' ' ' LEU . 80.0 ttt180 -51.01 106.48 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.062 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 54.85 91.84 0.03 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.054 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -116.84 -60.6 1.83 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.484 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.57 -2.19 15.07 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.408 -1.218 . . . . 10.0 112.659 179.879 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.822 0.344 . . . . 10.0 110.309 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.516 ' CD2' HG11 ' A' ' 29' ' ' VAL . 5.0 m-30 -103.25 167.62 9.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.503 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.4 121.69 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.266 -0.879 . . . . 10.0 108.935 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.86 HG21 ' HB ' ' A' ' 20' ' ' ILE . 30.0 m -97.43 107.02 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 3.5 mp0 -97.23 96.43 8.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 118.555 -1.258 . . . . 10.0 108.61 176.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -178.14 -171.45 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.296 -1.32 . . . . 10.0 108.339 178.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -133.34 34.05 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.084 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -58.89 135.11 57.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -112.71 130.92 55.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.621 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.08 119.33 4.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -90.43 -24.8 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.143 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.495 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 29.4 m80 -127.35 175.62 8.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.718 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.18 -39.97 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 48' ' ' MET . 5.3 p-10 -78.8 -1.2 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' HB2' ' A' ' 14' ' ' HIS . 50.4 mm-40 -91.48 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.39 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 140.32 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -86.72 113.48 22.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.584 -0.446 . . . . 10.0 109.812 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.86 ' HB ' HG21 ' A' ' 6' ' ' VAL . 22.1 pt -113.19 123.64 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.959 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 6' ' ' VAL . 98.7 mtt180 -122.88 161.35 24.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.686 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 20.1 t -47.64 124.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.456 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.01 -20.31 37.07 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.738 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.68 ' O ' HG22 ' A' ' 6' ' ' VAL . 24.4 mt-10 -68.1 115.12 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.072 0.436 . . . . 10.0 111.041 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.6 pt -90.44 129.09 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.457 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.705 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.4 mp -96.07 123.37 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.332 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 41' ' ' GLU . 92.4 mtt180 -70.91 144.89 50.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.351 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 35.71 70.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.516 HG11 ' CD2' ' A' ' 4' ' ' TYR . 25.2 t -82.2 130.21 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.016 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -130.27 132.67 46.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.808 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.38 126.95 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.44 178.62 6.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.964 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 7.1 mp0 -93.89 128.37 40.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.625 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 17.7 tt0 -57.59 118.22 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.114 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.89 -32.63 5.72 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.869 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 15.5 m95 -73.1 124.28 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 10.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.884 HD12 HG11 ' A' ' 54' ' ' VAL . 32.5 mt -126.4 149.59 49.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -116.15 138.45 51.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 10.0 110.255 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.53 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -164.47 178.24 39.8 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.095 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 4.3 mp0 -108.88 115.51 30.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.988 0.423 . . . . 10.0 110.744 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.6 tt -133.1 128.2 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.757 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.667 ' N ' HD23 ' A' ' 42' ' ' LEU . 12.9 t-20 61.78 32.0 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.426 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.38 4.86 75.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.001 -0.619 . . . . 10.0 113.354 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -117.46 129.5 55.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 10.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -91.69 120.44 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.715 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.85 167.55 33.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.657 -0.783 . . . . 10.0 112.811 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 20.1 ptp -93.68 151.93 19.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HB2' HD13 ' A' ' 20' ' ' ILE . 16.1 p90 -152.5 150.59 25.32 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.24 145.15 78.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.596 2.197 . . . . 10.0 112.545 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 54' ' ' VAL . 12.7 t70 -78.26 -22.32 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.648 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.5 HD21 ' CD ' ' B' ' 6' ' ' LYS . 8.1 m-80 -76.25 4.89 7.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.522 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.09 -6.69 8.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.383 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.884 HG11 HD12 ' A' ' 38' ' ' LEU . 14.2 p -116.7 144.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.325 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -130.35 108.55 10.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.699 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 4' ' ' TYR . 29.5 tt0 -54.54 122.5 10.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 10.0 111.732 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' ILE . 13.1 tt -121.64 101.38 10.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.698 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' B' ' 19' ' ' PRO . 23.2 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.698 0.285 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -108.89 155.31 20.97 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -143.02 141.81 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.861 0.362 . . . . 10.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.45 158.94 21.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.377 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -145.0 119.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.5 ' CD ' HD21 ' A' ' 52' ' ' ASN . 45.8 tttt -83.24 117.5 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.68 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -99.75 127.17 45.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -40.07 -40.62 1.1 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.9 p -58.97 -54.52 46.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 10.0 110.718 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.625 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.66 24.69 0.11 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.917 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -113.86 133.01 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.014 0.435 . . . . 10.0 111.784 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -98.89 84.3 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.672 -0.695 . . . . 10.0 109.453 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 pt -79.15 110.57 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.376 0.608 . . . . 10.0 110.873 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 54.1 m -95.47 109.08 21.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.551 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 15' ' ' LEU . 6.5 mp -105.52 155.24 19.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.469 0.915 . . . . 10.0 113.469 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -76.14 138.1 40.51 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.09 -0.959 . . . . 10.0 110.578 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.5 p -165.3 159.3 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.895 0.378 . . . . 10.0 111.563 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' HG22 ' B' ' 17' ' ' VAL . 8.6 mp0 -117.67 158.24 45.9 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.279 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.451 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 27.7 Cg_endo -62.7 -20.72 71.78 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.355 2.036 . . . . 10.0 112.165 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.0 p -92.38 -11.53 34.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.303 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.48 147.72 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.028 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 23.7 p -91.97 162.32 14.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.008 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 31.3 mm -69.56 -34.95 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.8 -32.56 71.9 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.158 0.504 . . . . 10.0 109.71 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -71.67 -56.89 4.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.851 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -45.84 -33.55 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.051 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.15 -42.85 88.49 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.903 0.383 . . . . 10.0 110.258 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -52.1 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.092 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -49.57 -32.27 12.29 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.091 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.632 HD12 ' OE1' ' B' ' 41' ' ' GLN . 38.7 mt -77.92 -37.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.203 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.521 HE21 ' C ' ' B' ' 36' ' ' ILE . 3.8 tp-100 -76.05 -6.28 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.312 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.67 -9.68 15.79 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.426 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -124.55 -15.3 6.63 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.667 -0.242 . . . . 10.0 111.604 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.14 -10.4 2.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.979 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.12 40.82 99.63 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.083 -0.58 . . . . 10.0 113.504 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.521 ' C ' HE21 ' B' ' 31' ' ' GLN . 45.8 mm -106.87 111.96 63.56 Favored Pre-proline 0 C--O 1.233 0.198 0 CA-C-N 116.749 0.274 . . . . 10.0 110.761 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 86.7 Cg_exo -46.81 132.94 17.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.929 2.419 . . . . 10.0 113.03 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -59.8 -38.67 78.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.866 2.377 . . . . 10.0 112.684 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.58 -13.14 61.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.122 0.487 . . . . 10.0 110.752 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -117.61 21.69 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.009 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.632 ' OE1' HD12 ' B' ' 30' ' ' ILE . 8.4 tt0 -118.24 101.87 8.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.214 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.64 HH22 HE21 ' B' ' 49' ' ' GLN . 14.1 mmm180 -97.6 120.18 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.896 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -112.05 119.71 39.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.389 -0.368 . . . . 10.0 110.107 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.2 128.58 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 10.0 110.722 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -134.99 131.7 37.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.907 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.0 20.34 12.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.275 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.69 28.76 34.3 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.101 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -154.94 125.76 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 10.0 110.751 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.64 HE21 HH22 ' B' ' 42' ' ' ARG . 3.6 pt20 -56.17 140.96 42.58 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -89.58 121.52 31.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.657 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' B' ' 53' ' ' GLY . 36.1 mt-10 -80.25 126.77 31.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.369 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.9 p-10 -57.35 -6.62 0.45 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -100.0 11.48 60.55 Favored Glycine 0 N--CA 1.433 -1.516 0 CA-C-N 114.669 -1.151 . . . . 10.0 114.315 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -135.33 162.5 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 117.149 0.474 . . . . 10.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.9 p -99.14 168.89 9.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.7 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.451 ' N ' HD22 ' B' ' 56' ' ' LEU . 3.3 mm? -57.71 -44.58 86.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -49.97 -32.45 15.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.575 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.62 -46.88 88.6 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.051 0.453 . . . . 10.0 110.27 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.06 22.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.569 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 41.75 36.45 0.61 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.044 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -77.91 107.59 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 10.0 111.238 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -93.27 -175.65 3.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -68.09 156.22 37.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 64.31 25.86 13.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.475 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.421 ' HB3' ' H ' ' B' ' 66' ' ' THR . 24.4 m -70.91 -161.41 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.951 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.421 ' H ' ' HB3' ' B' ' 65' ' ' SER . 1.8 t -159.12 90.9 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 10.0 110.737 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.509 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.6 mp -82.5 156.58 23.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.683 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -116.38 116.14 27.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.196 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.1 tp -98.58 113.13 25.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.749 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 42' ' ' ARG . 20.7 m . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.195 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.533 ' O ' HG22 ' A' ' 57' ' ' ILE . 11.5 t70 . . . . . 0 CA--C 1.524 -0.02 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.707 ' HB2' HG21 ' A' ' 29' ' ' VAL . 7.6 m-85 -132.87 166.14 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 10.0 111.3 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.499 HG12 HG22 ' A' ' 25' ' ' ILE . 48.5 mt -120.11 116.95 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 107.461 -1.311 . . . . 10.0 107.461 178.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.932 HG12 HG12 ' A' ' 54' ' ' VAL . 15.3 m -96.6 106.59 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -176.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 43.1 tt0 -97.22 97.18 8.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -175.67 171.01 2.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.516 -1.22 . . . . 10.0 109.097 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.9 28.86 8.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.918 0.389 . . . . 10.0 110.489 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.21 141.09 58.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.795 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.71 141.49 51.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.171 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -53.72 118.98 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -91.98 -28.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.255 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 5.8 t-160 -129.28 -179.87 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.06 -44.45 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.991 0.424 . . . . 10.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -1.46 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.29 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' A' ' 14' ' ' HIS . 11.8 mm-40 -94.78 139.58 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 10.0 110.509 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 42' ' ' LEU . 17.4 tp -106.13 139.88 39.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 4.5 t -86.99 113.94 23.17 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.891 ' HB ' HG21 ' A' ' 6' ' ' VAL . 19.6 pt -113.07 125.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.433 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -116.09 152.29 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.39 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 18.6 m -47.25 124.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -19.13 52.49 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.797 -0.638 . . . . 10.0 113.587 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.746 ' O ' HG22 ' A' ' 6' ' ' VAL . 19.4 mm-40 -68.38 119.05 12.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 10.0 111.046 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.499 HG22 HG12 ' A' ' 5' ' ' ILE . 24.1 pt -91.06 128.76 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.447 HD11 HG11 ' A' ' 6' ' ' VAL . 31.7 mt -99.19 128.96 50.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.429 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -79.74 145.36 32.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.153 0.502 . . . . 10.0 111.663 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 48.75 56.98 6.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.866 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 4' ' ' TYR . 74.1 t -81.57 123.67 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.299 . . . . 10.0 110.392 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -132.23 150.21 52.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.79 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -72.71 130.71 41.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 tp -89.62 167.24 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.371 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.1 -15.7 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 10.0 110.394 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.77 130.9 38.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.629 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.55 ' CG ' ' HA2' ' B' ' 10' ' ' GLY . 0.7 OUTLIER -64.59 123.28 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.972 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 86.26 12.04 71.23 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.713 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.47 ' CD1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -127.36 126.41 42.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.996 0.427 . . . . 10.0 110.995 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -125.37 157.26 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -116.39 138.18 51.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 10.0 110.374 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.7 176.57 40.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.326 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.59 116.08 30.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 10.0 110.489 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HB3' HD21 ' A' ' 18' ' ' LEU . 36.5 tp -135.72 133.02 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.633 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 61.44 31.65 19.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.425 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 19.99 79.07 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.133 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 45' ' ' ARG . 33.1 mtm-85 -136.93 129.79 30.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.31 . . . . 10.0 110.662 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -89.17 123.28 33.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.114 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.96 167.15 33.2 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.957 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.485 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 57.6 mtt -88.5 147.39 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.662 0.268 . . . . 10.0 110.319 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 54' ' ' VAL . 3.3 p90 -147.01 148.3 32.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 10.0 111.513 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.532 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 51.2 Cg_exo -56.83 136.54 77.02 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.976 2.451 . . . . 10.0 112.704 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.02 -41.09 91.41 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -68.24 4.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 9.1 m-30 -113.36 -15.22 12.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 10.0 109.977 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.932 HG12 HG12 ' A' ' 6' ' ' VAL . 3.6 m -111.58 146.91 15.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.362 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.3 124.69 27.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.432 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 9.2 tp10 -43.83 137.6 3.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.016 0.436 . . . . 10.0 111.976 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 3' ' ' ASP . 17.3 tt -75.22 130.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.559 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.106 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.54 0.21 . . . . 10.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -111.03 156.95 20.52 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 10.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 pt -139.19 141.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.605 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.34 113.15 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.649 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -94.78 141.4 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.16 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -100.84 126.46 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.477 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -95.22 170.23 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.282 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.489 ' C ' HD12 ' B' ' 8' ' ' LEU . 3.6 pp -88.54 -7.38 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 10.0 111.148 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.407 ' N ' HD12 ' B' ' 8' ' ' LEU . 80.0 m -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.262 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.55 ' HA2' ' CG ' ' A' ' 35' ' ' GLU . . . 143.7 15.54 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.273 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -108.33 136.38 48.06 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.9 p -102.79 91.64 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.532 -0.914 . . . . 10.0 108.532 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.403 HG12 ' H ' ' B' ' 13' ' ' ILE . 14.0 pt -85.29 112.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.161 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 28.2 m -81.85 141.65 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.14 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -135.01 144.86 47.59 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.208 0.448 . . . . 10.0 112.208 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -81.87 122.47 27.77 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.159 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -155.77 161.68 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.199 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.92 161.26 39.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.428 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.55 -27.81 85.89 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.56 2.173 . . . . 10.0 112.43 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -86.34 -7.03 58.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.585 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.71 146.84 49.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 10.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -91.07 161.35 15.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.151 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -69.92 -34.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.377 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.66 -32.22 72.37 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.074 0.464 . . . . 10.0 109.772 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.85 -56.54 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.522 -0.763 . . . . 10.0 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -45.52 -30.88 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.902 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -71.73 -39.55 70.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.04 29.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.423 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -98.88 -22.22 15.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.915 -1.142 . . . . 10.0 107.915 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.673 HD12 ' OE1' ' B' ' 41' ' ' GLN . 43.6 mt -86.93 -32.94 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.734 -1.121 . . . . 10.0 109.765 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.426 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 8.7 tt0 -80.29 -4.28 52.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.124 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -107.51 -12.82 15.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.998 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -117.49 -30.33 5.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -119.06 -12.82 9.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.823 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.03 34.07 80.68 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.797 -0.716 . . . . 10.0 113.402 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.45 119.75 59.47 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.762 0.281 . . . . 10.0 110.679 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -53.26 133.49 52.93 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.754 2.303 . . . . 10.0 112.743 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 34.2 Cg_exo -60.31 -38.39 75.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.813 2.342 . . . . 10.0 112.118 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.56 -21.1 66.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -112.34 19.67 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.612 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.673 ' OE1' HD12 ' B' ' 30' ' ' ILE . 8.6 tt0 -115.58 99.38 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.436 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.454 ' HB2' HG23 ' B' ' 70' ' ' VAL . 52.3 mtm180 -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.375 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.493 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 9.6 mp -111.42 120.6 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.357 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.652 ' C ' HD13 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -125.29 127.8 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.464 ' N ' HD13 ' B' ' 44' ' ' ILE . 40.2 t80 -135.34 135.19 40.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.642 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 16.94 10.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.87 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.449 ' CA ' HD11 ' B' ' 44' ' ' ILE . . . 90.98 5.5 67.99 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.202 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -128.47 128.04 43.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.956 0.408 . . . . 10.0 111.519 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.457 ' NE2' ' N ' ' B' ' 43' ' ' LEU . 45.0 tp60 -63.48 130.71 45.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.328 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -76.86 127.0 31.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.486 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -85.54 131.29 34.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.71 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.503 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.4 p-10 -59.08 -10.33 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.079 0.466 . . . . 10.0 110.359 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.19 11.92 60.28 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.513 -0.767 . . . . 10.0 113.557 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -117.92 -172.48 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 10.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.472 ' C ' ' H ' ' B' ' 57' ' ' SER . 52.5 p -132.17 159.03 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.817 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.4 8.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 55' ' ' THR . 47.1 t -103.54 -28.23 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.42 -41.28 93.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.976 -1.011 . . . . 10.0 110.21 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -96.58 20.89 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.546 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.74 40.93 2.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mm -80.63 103.76 8.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -90.17 -177.39 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.01 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.0 159.38 28.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.721 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 59.74 26.67 15.82 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.576 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -91.61 146.73 23.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.8 t -104.82 111.52 24.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.2 mp -94.85 149.8 20.86 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.775 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.456 ' HB3' HG23 ' B' ' 44' ' ' ILE . 1.1 t60 -106.82 125.58 51.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 10.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 70' ' ' VAL . 3.1 tt -105.83 115.8 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.062 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' B' ' 42' ' ' ARG . 29.0 m . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.461 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-O 120.516 0.198 . . . . 10.0 110.493 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 14.4 m-30 -113.67 167.61 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.548 HG12 HG22 ' A' ' 25' ' ' ILE . 39.7 mt -117.35 118.08 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.725 HG11 HD12 ' A' ' 20' ' ' ILE . 21.3 t -98.75 105.81 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 54.1 tp10 -102.8 95.35 6.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.042 -1.063 . . . . 10.0 108.369 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -178.72 177.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.507 -1.224 . . . . 10.0 109.496 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.38 106.48 14.05 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 50' ' ' PRO . 64.9 t80 -141.41 133.94 28.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.994 0.426 . . . . 10.0 111.667 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -118.74 135.29 54.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.711 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.846 ' H ' HG22 ' A' ' 19' ' ' THR . . . -58.53 123.27 15.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.225 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.36 -27.95 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -122.01 172.92 7.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.42 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.33 -38.37 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -80.16 3.24 21.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.104 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -97.65 146.64 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.4 tp -106.52 138.93 41.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.758 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.846 HG22 ' H ' ' A' ' 12' ' ' ALA . 30.3 p -86.53 113.9 22.82 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.725 HD12 HG11 ' A' ' 6' ' ' VAL . 15.3 pt -115.28 126.53 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 10.0 111.189 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 35.5 ttp180 -119.87 159.7 24.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.631 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.568 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 6.0 m -46.31 124.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.271 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 -19.02 35.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.069 -0.586 . . . . 10.0 113.525 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -68.63 114.35 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 10.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.548 HG22 HG12 ' A' ' 5' ' ' ILE . 23.4 pt -89.1 133.96 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.691 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.656 ' CD1' HD22 ' A' ' 42' ' ' LEU . 3.5 mm -99.72 122.62 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.089 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.53 147.41 39.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 10.0 111.727 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.5 m120 42.32 62.04 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.534 -0.757 . . . . 10.0 112.697 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.52 HG12 HD22 ' A' ' 38' ' ' LEU . 3.1 t -84.67 127.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.011 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 140.66 46.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HA ' HD23 ' A' ' 38' ' ' LEU . 64.1 mmtt -59.45 133.37 56.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.123 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 36.3 tp -94.95 167.67 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.181 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 1.7 mp0 -72.0 -7.46 48.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 48.4 mt-10 -97.32 127.42 43.26 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.152 0.501 . . . . 10.0 110.586 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.625 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 29.4 tt0 -59.54 120.11 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.428 -0.806 . . . . 10.0 112.16 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.426 ' HA3' ' CE ' ' B' ' 6' ' ' LYS . . . 82.97 17.91 66.4 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 95.3 m95 -128.98 125.89 38.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.285 0.564 . . . . 10.0 111.18 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 31' ' ' LYS . 7.3 mt -116.38 151.49 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.33 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 14.5 tp10 -115.48 138.1 51.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.3 -178.45 38.47 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.47 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.17 115.94 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 10.0 111.17 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 26' ' ' ILE . 29.9 tp -132.32 129.52 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.035 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.493 HD22 HH21 ' A' ' 45' ' ' ARG . 41.7 m-20 60.94 29.53 19.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.277 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.95 78.32 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.887 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.493 HH21 HD22 ' A' ' 43' ' ' ASN . 38.0 mtm105 -129.27 129.92 45.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 10.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -90.58 113.7 25.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.52 162.89 29.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.173 -1.013 . . . . 10.0 113.393 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 48' ' ' MET . 1.8 mpt? -90.18 150.06 22.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.616 -0.292 . . . . 10.0 110.423 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.637 ' HB2' HD13 ' A' ' 20' ' ' ILE . 12.9 p90 -152.13 153.23 30.91 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.949 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 52.9 Cg_exo -54.82 138.4 76.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.654 2.236 . . . . 10.0 112.391 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HA ' HG12 ' A' ' 54' ' ' VAL . 17.1 m-20 -79.29 -14.38 59.05 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -84.47 7.6 19.23 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.571 ' O ' HG13 ' A' ' 6' ' ' VAL . 21.3 m-85 -121.29 -17.76 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.396 . . . . 10.0 110.312 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 4.4 p -102.88 144.24 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.72 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -130.81 117.05 18.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.1 mp0 -44.24 138.93 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.591 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.704 HD13 ' N ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -74.57 127.26 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.123 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.704 ' N ' HD13 ' A' ' 57' ' ' ILE . 2.2 tpmt? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.921 . . . . 10.0 110.694 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.503 0.192 . . . . 10.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -110.27 157.72 19.16 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.685 0.278 . . . . 10.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' B' ' 14' ' ' THR . 33.9 pt -140.96 144.16 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.32 112.63 25.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.896 0.379 . . . . 10.0 111.866 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.76 144.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.486 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.426 ' CE ' ' HA3' ' A' ' 36' ' ' GLY . 54.8 mtpt -98.72 123.56 43.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.516 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.2 m -103.48 130.22 50.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -37.78 -52.72 1.29 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.49 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -47.53 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.625 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 152.16 26.38 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.526 -0.845 . . . . 10.0 113.348 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -116.51 124.87 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 112.127 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -87.37 87.81 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.171 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 13' ' ' ILE . 13.2 pt -81.78 106.8 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.498 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.7 t -80.73 152.34 28.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -148.1 147.53 29.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.016 0.436 . . . . 10.0 112.151 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.88 133.15 40.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.299 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.484 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.8 p -164.31 160.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.18 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.484 ' N ' HG22 ' B' ' 17' ' ' VAL . 11.2 pt-20 -122.25 159.15 53.43 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.493 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.01 -23.73 70.01 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.683 2.255 . . . . 10.0 112.899 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 m -91.16 -9.37 45.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.585 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.95 146.98 52.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 10.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -91.31 165.15 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.171 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 32.5 mm -72.53 -34.65 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.251 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.78 -32.05 71.39 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -72.49 -58.67 3.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.915 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.21 -32.29 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.112 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -66.02 -46.78 76.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.958 0.409 . . . . 10.0 109.983 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -58.33 -52.54 65.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.958 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -49.33 -30.05 6.98 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.658 HD12 ' OE1' ' B' ' 41' ' ' GLN . 34.4 mt -79.22 -38.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.4 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 16.9 pt20 -80.31 -0.99 39.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.874 0.369 . . . . 10.0 110.381 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -105.57 -11.12 16.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.994 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -123.4 -27.62 4.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.972 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -118.04 -13.23 10.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.613 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.3 90.04 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.809 -0.71 . . . . 10.0 113.235 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -101.52 117.15 62.53 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.562 0.181 . . . . 10.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.17 139.27 35.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.568 2.179 . . . . 10.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.71 -37.12 22.18 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.619 2.213 . . . . 10.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.92 -11.56 60.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.671 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -118.14 19.64 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.137 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.658 ' OE1' HD12 ' B' ' 30' ' ' ILE . 7.3 tt0 -118.04 103.56 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.207 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -100.87 121.23 41.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.852 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 8.4 mp -111.0 116.12 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.485 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -117.29 127.41 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD11 ' B' ' 50' ' ' LEU . 86.2 t80 -132.99 132.44 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.74 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 29.47 17.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.574 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.52 32.0 62.46 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -148.33 115.4 6.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.722 0.296 . . . . 10.0 110.698 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -57.0 131.15 48.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.112 0.482 . . . . 10.0 111.528 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' B' ' 45' ' ' PHE . 3.1 mp -80.58 122.43 27.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.272 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 53' ' ' GLY . 8.4 mm-40 -81.12 129.38 34.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.808 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.471 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.1 p30 -58.34 -5.28 0.48 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.39 11.51 58.27 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 114.585 -1.189 . . . . 10.0 114.364 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -134.35 160.74 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.246 0.523 . . . . 10.0 111.457 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 4.9 t -98.15 166.92 11.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.541 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mp -55.7 -46.22 77.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 10.0 109.917 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -49.44 -32.2 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.615 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.05 -47.41 85.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.076 0.465 . . . . 10.0 110.09 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -94.03 23.59 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.631 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.05 37.51 0.57 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.15 106.25 8.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.472 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.75 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.89 155.06 41.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.051 0.453 . . . . 10.0 111.555 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 68.81 23.87 6.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p -91.69 147.8 22.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 66' ' ' THR . 6.6 t -106.48 109.78 21.79 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 113.533 0.938 . . . . 10.0 113.533 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.534 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -89.73 157.77 17.83 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.087 177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 50' ' ' PRO . 40.5 m-70 -113.9 119.66 38.03 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.732 0.301 . . . . 10.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.07 115.21 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.362 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.463 HG13 ' O ' ' B' ' 70' ' ' VAL . 5.8 p . . . . . 0 C--N 1.334 -0.104 0 CA-C-O 121.149 0.5 . . . . 10.0 111.809 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.085 0 N-CA-C 110.413 -0.218 . . . . 10.0 110.413 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 15.8 m-30 -109.27 167.64 9.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.458 . . . . 10.0 111.117 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.8 tt -121.91 118.75 56.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.152 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -94.84 107.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -177.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 17.4 mm-40 -97.37 97.38 9.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 119.175 -1.01 . . . . 10.0 109.121 177.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -178.03 -177.87 0.64 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.214 178.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -124.07 29.2 6.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.868 0.366 . . . . 10.0 110.869 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.438 ' HB3' HG13 ' A' ' 20' ' ' ILE . 14.4 t80 -59.6 137.29 58.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.472 ' HA ' HG23 ' A' ' 19' ' ' THR . 9.7 m-20 -118.32 135.15 54.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.389 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.52 119.61 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 t -90.04 -17.66 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.946 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.447 ' HB2' HH12 ' B' ' 42' ' ' ARG . 9.3 t-80 -132.78 170.95 14.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.291 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.17 -39.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.146 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.32 1.04 19.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.356 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -103.12 136.17 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 19' ' ' THR . 3.3 tm? -93.57 144.12 25.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.455 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.578 ' N ' HD13 ' A' ' 18' ' ' LEU . 54.4 m -89.21 114.64 25.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' A' ' 49' ' ' PHE . 28.6 pt -109.47 123.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 10.0 111.461 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -119.07 154.74 32.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.819 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 10.7 m -49.23 123.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.999 0.428 . . . . 10.0 112.057 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.81 -19.51 54.33 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.621 -0.718 . . . . 10.0 113.4 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.519 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.4 mt-10 -68.24 140.34 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 10.0 110.674 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.0 pt -111.25 127.62 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.785 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -94.08 114.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.354 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.524 HH22 ' H ' ' A' ' 44' ' ' GLY . 40.0 mtm180 -69.48 145.99 52.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.427 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 t30 39.31 69.18 0.3 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.677 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 4' ' ' TYR . 27.2 m -76.19 128.53 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.295 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -131.66 119.48 21.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.507 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -62.12 131.07 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.186 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 35.1 tp -88.25 166.37 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.465 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 10.6 mm100 -72.15 -3.19 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -102.31 133.32 47.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.64 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.578 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 22.6 tt0 -67.08 121.41 15.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.805 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 90.55 8.58 65.67 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.873 -0.68 . . . . 10.0 112.405 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CZ2' HG13 ' B' ' 70' ' ' VAL . 10.7 m95 -119.27 125.12 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 10.0 110.604 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -129.15 147.7 51.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.834 -1.173 . . . . 10.0 107.834 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.36 138.68 50.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 10.0 110.708 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.42 173.13 41.14 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.266 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 5.0 mp0 -108.91 115.71 30.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 10.0 109.965 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -137.89 136.42 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.218 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 61.81 29.39 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.751 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.524 ' H ' HH22 ' A' ' 27' ' ' ARG . . . 74.28 15.29 80.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.802 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -139.62 131.49 27.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.867 0.365 . . . . 10.0 110.614 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -87.32 131.73 34.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.38 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.42 166.56 35.36 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.509 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.3 mpp? -89.53 147.99 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 10.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' HB2' HD13 ' A' ' 20' ' ' ILE . 19.2 p90 -146.88 150.4 39.03 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.934 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 50.7 Cg_exo -54.81 129.82 37.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.694 2.262 . . . . 10.0 112.543 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.505 ' HA ' HG12 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -69.46 -20.81 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.888 -179.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.574 ' H ' HD22 ' A' ' 52' ' ' ASN . 0.1 OUTLIER -82.66 4.24 25.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.647 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 22.5 m-30 -118.48 -5.26 10.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 10.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 7.6 p -110.55 142.52 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.889 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -127.25 113.75 16.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 26.7 tt0 -53.29 136.59 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 10.0 112.152 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.4 mt -85.23 129.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.966 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.335 -0.841 . . . . 10.0 110.811 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.3 ptt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.532 0.206 . . . . 10.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.32 157.79 21.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 10.0 110.317 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 14' ' ' THR . 36.6 pt -140.87 145.53 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.414 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' B' ' 66' ' ' THR . 52.9 m-85 -105.09 112.6 25.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 10.0 111.612 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -95.09 139.64 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.702 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -94.19 123.17 37.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.3 m -101.84 127.34 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.943 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.571 HD23 ' H ' ' B' ' 8' ' ' LEU . 1.5 pt? -38.98 -44.42 1.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.095 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -55.66 -57.38 12.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.687 0.279 . . . . 10.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.578 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 151.07 18.59 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.402 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -109.09 135.16 50.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.113 0.483 . . . . 10.0 112.106 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.2 p -100.09 84.91 2.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.218 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 13' ' ' ILE . 19.9 pt -79.06 113.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 10.0 111.73 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.2 t -92.11 125.16 36.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.175 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 15' ' ' LEU . 5.6 mp -120.23 148.19 43.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -75.49 132.76 40.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.175 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.442 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.0 p -162.56 158.35 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 10.0 111.307 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.442 ' N ' HG22 ' B' ' 17' ' ' VAL . 8.2 mp0 -117.85 159.67 41.7 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.406 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.14 -22.52 74.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.584 2.189 . . . . 10.0 112.505 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -91.19 -9.51 45.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.566 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.24 149.19 48.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 10.0 111.028 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.484 HG22 HG22 ' B' ' 55' ' ' THR . 35.2 p -93.29 161.86 14.23 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.219 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.0 mm -68.05 -36.32 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.038 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -58.49 -37.13 74.9 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.656 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.4 HD22 ' H ' ' B' ' 22' ' ' THR . 83.6 m-20 -68.49 -56.33 8.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.08 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -46.55 -33.12 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.131 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -66.31 -44.05 84.52 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.92 0.39 . . . . 10.0 110.348 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.68 68.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.884 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -49.08 -32.75 10.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.332 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.1 mt -76.15 -40.27 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.994 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -76.41 -5.15 46.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.366 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -102.5 -16.16 16.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.383 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -126.37 -6.02 6.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -133.29 -17.46 2.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.986 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.04 35.74 89.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.952 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HB ' HE21 ' B' ' 41' ' ' GLN . 43.2 mm -104.01 122.41 44.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.97 136.89 77.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.44 2.093 . . . . 10.0 112.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.89 -35.26 56.73 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.718 2.279 . . . . 10.0 112.137 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.0 -15.16 63.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.356 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -115.13 22.1 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.493 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.434 HE21 ' HB ' ' B' ' 36' ' ' ILE . 38.1 mt-30 -115.68 103.25 10.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.548 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.447 HH12 ' HB2' ' A' ' 14' ' ' HIS . 64.1 mtm180 -100.24 115.71 30.53 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.434 ' N ' HD12 ' B' ' 43' ' ' LEU . 7.5 mp -108.21 114.64 28.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.401 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.425 HG23 HE21 ' B' ' 49' ' ' GLN . 40.2 mt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 10.0 111.147 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -133.99 131.45 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . . . 62.55 20.7 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.916 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' B' ' 48' ' ' LYS . . . 85.15 17.45 62.78 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.183 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' B' ' 47' ' ' GLY . 2.3 mptp? -140.25 124.29 17.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.402 . . . . 10.0 111.42 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.425 HE21 HG23 ' B' ' 44' ' ' ILE . 1.7 mp0 -55.52 141.01 38.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.721 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.62 121.56 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.06 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' B' ' 53' ' ' GLY . 37.9 mt-10 -79.75 122.9 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.453 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.2 p-10 -45.82 -24.52 0.39 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.523 0.678 . . . . 10.0 109.407 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -68.8 -70.15 1.22 Allowed Glycine 0 N--CA 1.434 -1.496 0 CA-C-N 114.585 -1.189 . . . . 10.0 112.488 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -53.65 165.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.484 HG22 HG22 ' B' ' 22' ' ' THR . 41.8 p -106.94 171.79 7.17 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 114.285 -1.325 . . . . 10.0 109.843 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.88 -48.77 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 110.494 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.6 p -48.7 -30.92 6.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.817 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.09 -41.85 98.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.946 0.403 . . . . 10.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.41 ' HB2' HG13 ' B' ' 61' ' ' ILE . 51.1 m-85 -101.02 25.84 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p30 41.29 36.92 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.106 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.41 HG13 ' HB2' ' B' ' 59' ' ' TYR . 85.0 mt -76.98 103.62 4.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.838 0.351 . . . . 10.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -92.42 -178.76 5.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.401 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 7.2 ptpp? -63.28 158.26 20.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.706 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 61.54 26.27 16.03 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.401 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.4 p -89.81 143.99 26.34 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.447 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 35.7 m -105.99 108.7 20.35 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.7 mt -88.62 162.25 16.44 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.132 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -117.47 118.79 33.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.509 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.504 ' C ' HD13 ' B' ' 69' ' ' LEU . 2.8 tm? -101.2 114.23 28.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.869 0.366 . . . . 10.0 110.692 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.447 HG13 ' CZ2' ' A' ' 37' ' ' TRP . 5.7 t . . . . . 0 C--O 1.233 0.21 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.257 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.82 0.343 . . . . 10.0 111.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.699 ' HB2' HG21 ' A' ' 29' ' ' VAL . 2.8 m-30 -108.1 160.09 16.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.577 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.11 117.02 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 107.969 -1.122 . . . . 10.0 107.969 178.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.695 ' HB ' HG12 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -102.86 110.62 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 45.7 mt-10 -99.42 95.97 7.38 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.379 -1.341 . . . . 10.0 107.379 175.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 34.9 t80 -176.54 167.72 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.511 -1.222 . . . . 10.0 109.261 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.46 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 t70 -108.9 106.52 16.54 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -136.79 125.87 24.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 10.0 110.863 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -110.99 132.68 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -56.7 119.51 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.3 -15.9 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.773 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB3' ' HG2' ' A' ' 17' ' ' GLU . 35.8 t60 -131.99 169.87 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.005 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.48 -45.01 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 10.0 110.764 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.09 -1.32 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' HB3' ' A' ' 14' ' ' HIS . 75.3 mm-40 -97.21 142.62 28.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 10.0 110.54 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 42' ' ' LEU . 16.6 tp -106.2 141.4 37.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.352 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.515 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 5.0 t -90.47 115.58 27.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 10.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.706 HG21 HD11 ' A' ' 26' ' ' ILE . 7.0 pt -122.34 131.66 72.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.127 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.502 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 mpt_? -117.94 160.83 20.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.536 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.3 t -49.12 123.94 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.193 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -18.17 55.43 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.85 -0.614 . . . . 10.0 113.403 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.502 ' HG3' ' H ' ' A' ' 21' ' ' ARG . 19.2 mm-40 -60.77 145.69 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 10.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 25' ' ' ILE . 12.7 tt -116.73 120.59 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.904 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 20' ' ' ILE . 13.5 mt -94.09 124.28 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.373 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -78.18 149.79 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 10.0 111.736 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 42.99 59.87 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.997 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 4' ' ' TYR . 86.2 t -80.99 122.25 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 10.0 110.41 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -125.0 127.18 46.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.5 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HA ' HD22 ' A' ' 38' ' ' LEU . 63.9 mttm -65.68 122.26 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.09 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -84.33 178.08 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.234 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.63 -16.44 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.723 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -83.77 126.26 32.74 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.144 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.04 124.38 22.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.904 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 83.98 8.0 84.69 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.407 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -129.52 125.22 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 10.0 111.137 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.607 HD12 HG21 ' A' ' 54' ' ' VAL . 4.3 mt -122.74 162.03 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.315 -0.857 . . . . 10.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -116.04 139.33 50.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.08 177.77 40.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.485 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -111.08 116.44 31.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 10.0 110.781 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 43' ' ' ASN . 2.2 tm? -133.28 129.1 37.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.861 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.616 ' N ' HD13 ' A' ' 42' ' ' LEU . 60.4 t30 61.95 31.93 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.01 19.08 79.8 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.334 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -136.28 129.96 32.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 10.0 110.717 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -88.67 123.88 33.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.212 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.25 165.9 32.97 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.901 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 2.0 mpt? -85.65 148.16 26.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 4.2 p90 -147.68 156.08 44.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.955 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.533 ' CB ' ' CE1' ' B' ' 68' ' ' HIS . 41.5 Cg_endo -66.7 141.66 60.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 10.0 112.394 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' HG22 ' A' ' 54' ' ' VAL . 12.7 t70 -73.59 -34.08 64.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.294 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -70.29 0.5 6.3 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CE2' ' A' ' 8' ' ' TYR . 12.4 m-30 -110.23 -24.32 10.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 10.0 109.961 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.695 HG12 ' HB ' ' A' ' 6' ' ' VAL . 25.4 m -103.17 149.39 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.372 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.28 106.49 8.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.406 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.48 122.83 7.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 57' ' ' ILE . 4.9 tp -122.43 101.09 9.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.388 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.014 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.468 0.175 . . . . 10.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -115.15 158.97 21.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.658 0.266 . . . . 10.0 110.322 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 14' ' ' THR . 42.9 pt -140.02 144.72 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.844 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HB3' ' CG2' ' B' ' 12' ' ' THR . 30.0 m-85 -99.7 110.11 22.53 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.457 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.45 104.39 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.52 136.87 56.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.721 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.3 p -118.35 150.46 39.48 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -48.2 -54.54 13.13 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -46.78 -42.01 16.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.843 0.354 . . . . 10.0 110.67 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.21 2.89 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.972 -0.632 . . . . 10.0 113.385 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -109.96 109.94 20.71 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.062 0.431 . . . . 10.0 111.465 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' B' ' 4' ' ' PHE . 41.4 m -74.26 93.5 2.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.097 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -87.52 110.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.724 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 72.4 p -79.8 154.64 28.32 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' B' ' 29' ' ' LYS . 43.8 tp -149.65 143.53 25.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.68 123.63 26.91 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.585 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -155.03 157.61 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.76 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' B' ' 18' ' ' GLU . 1.6 pm0 -117.08 159.75 39.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.214 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.03 -27.3 84.63 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.556 2.171 . . . . 10.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -86.4 -3.82 59.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.45 145.78 45.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.11 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.475 ' H ' HD22 ' B' ' 25' ' ' ASN . 26.0 p -90.37 163.8 14.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.72 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 27.1 mm -71.44 -34.94 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.03 -31.34 71.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.176 0.512 . . . . 10.0 109.624 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.475 HD22 ' H ' ' B' ' 22' ' ' THR . 89.0 m-20 -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -46.27 -32.53 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.448 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -72.82 -40.62 65.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.811 0.339 . . . . 10.0 110.415 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.8 -0.25 20.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.673 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HB2' HD21 ' B' ' 15' ' ' LEU . 98.2 mttt -101.3 -20.75 15.09 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.1 -32.28 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.056 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.432 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 57.3 tt0 -76.61 -7.61 55.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.987 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.97 -13.66 16.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.327 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.4 -18.57 7.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.287 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -125.28 -20.61 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.95 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.99 64.23 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.081 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mt -93.27 121.1 66.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.607 0.203 . . . . 10.0 110.719 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.12 128.6 30.41 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.611 2.207 . . . . 10.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 50.9 Cg_exo -55.98 -37.62 95.86 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.779 2.319 . . . . 10.0 112.452 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.15 -5.41 13.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -126.61 20.32 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -115.06 104.94 12.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.914 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -95.34 111.9 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.2 mt -101.78 103.21 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 10.0 111.714 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.684 HG22 ' N ' ' B' ' 45' ' ' PHE . 4.0 mp -83.38 173.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.368 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.684 ' N ' HG22 ' B' ' 44' ' ' ILE . 73.8 t80 176.25 116.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.32 28.03 5.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.675 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.23 44.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.825 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' B' ' 48' ' ' LYS . 3.3 mmmp? -149.74 117.7 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.715 0.293 . . . . 10.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.6 142.55 33.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.109 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' B' ' 45' ' ' PHE . 2.4 mp -90.59 115.65 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.486 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.529 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 26.7 tt0 -75.01 127.79 34.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.424 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.6 m-20 -58.49 -5.81 0.59 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.529 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -102.44 14.34 56.64 Favored Glycine 0 N--CA 1.43 -1.724 0 CA-C-N 114.623 -1.171 . . . . 10.0 114.479 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -134.08 161.13 35.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.108 0.454 . . . . 10.0 111.066 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 64.5 p -100.27 167.23 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.284 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.07 -48.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 10.0 109.959 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.8 m -48.65 -31.83 7.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.564 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.75 -57.43 12.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.992 0.425 . . . . 10.0 110.113 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -86.57 17.01 4.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.1 t30 48.54 46.25 20.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.737 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' B' ' 45' ' ' PHE . 33.1 mt -82.48 105.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -90.39 -175.55 4.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.42 157.65 35.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 61.19 25.47 15.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.623 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -87.16 141.99 28.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.614 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 59.6 p -102.44 106.69 17.48 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 67' ' ' LEU . 5.9 mp -99.12 131.05 45.44 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.377 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 50' ' ' PRO . 62.4 m170 -89.19 136.48 33.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 10.0 111.055 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.454 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.9 tt -114.82 122.91 47.81 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.829 179.769 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 57' ' ' ILE . 30.7 t70 . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 120.683 0.278 . . . . 10.0 110.28 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.76 ' HB2' HG21 ' A' ' 29' ' ' VAL . 8.6 m-85 -136.03 167.13 21.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.411 0.624 . . . . 10.0 111.609 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.71 117.5 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.676 HG21 HD12 ' A' ' 20' ' ' ILE . 7.7 p -99.92 107.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -177.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.4 tt0 -98.85 98.44 9.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.396 -0.922 . . . . 10.0 108.991 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CG ' ' CD2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 10.0 109.456 178.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.9 23.21 12.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.826 0.346 . . . . 10.0 110.91 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 15.7 t80 -53.2 130.49 34.7 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.12 128.81 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.32 119.46 5.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.934 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG23 ' ND1' ' A' ' 14' ' ' HIS . 3.0 m -102.37 4.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.489 ' ND1' HG23 ' A' ' 13' ' ' VAL . 63.2 m80 -153.29 172.85 16.38 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.49 -48.23 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -74.09 0.95 12.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.717 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 135.92 42.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.725 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.57 145.89 27.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.795 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -89.67 114.19 25.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 6' ' ' VAL . 10.3 pt -108.74 125.5 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.795 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -113.12 149.68 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.551 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.603 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 33.4 m -47.01 124.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -12.87 61.29 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.718 -0.674 . . . . 10.0 113.5 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.603 ' HG2' HD11 ' A' ' 42' ' ' LEU . 10.8 tp10 -60.5 151.22 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 10.0 110.486 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.96 121.33 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.514 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 49' ' ' PHE . 20.2 mt -101.5 119.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -76.08 144.64 40.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 10.0 112.008 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 46.6 61.14 2.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.471 -0.786 . . . . 10.0 113.094 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.76 HG21 ' HB2' ' A' ' 4' ' ' TYR . 87.4 t -81.84 121.67 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.197 -0.298 . . . . 10.0 110.197 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -127.74 143.95 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.849 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -77.01 131.09 38.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 39' ' ' GLU . 4.0 mm? -92.47 179.69 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.182 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -74.05 -13.87 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 4.0 mm-40 -93.98 129.58 40.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 128.13 34.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.157 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 80.32 12.38 83.19 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.863 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.4 m95 -120.39 124.48 45.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.351 . . . . 10.0 110.43 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 30.0 mt -126.88 151.12 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.569 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 14.6 tp10 -115.35 138.69 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.26 178.95 38.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.091 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -111.47 115.72 29.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.881 0.372 . . . . 10.0 110.357 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.3 tt -134.59 129.12 34.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.691 ' N ' HD23 ' A' ' 42' ' ' LEU . 64.5 t30 61.32 29.58 18.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.59 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.52 -15.2 42.32 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.707 -0.758 . . . . 10.0 113.414 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 4.8 tpm_? -110.7 130.06 55.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 10.0 110.527 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -89.3 131.04 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.948 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.44 167.6 33.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.411 -0.899 . . . . 10.0 113.246 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 39' ' ' GLU . 24.4 mmt -85.3 146.92 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.292 . . . . 10.0 110.432 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 54' ' ' VAL . 3.4 p90 -147.99 152.68 40.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.311 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 35.1 Cg_exo -59.78 137.8 78.96 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.774 2.316 . . . . 10.0 112.605 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 53' ' ' PHE . 5.7 p-10 -68.31 -41.34 81.03 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.468 HD21 ' NZ ' ' B' ' 6' ' ' LYS . 63.9 m-20 -70.27 14.22 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 2.4 m-85 -118.65 -28.64 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.7 t -103.19 149.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.226 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -134.81 131.73 37.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.421 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -49.86 137.72 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.126 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.607 HG22 ' O ' ' A' ' 3' ' ' ASP . 17.7 tt -78.02 130.72 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.387 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.339 -0.839 . . . . 10.0 110.665 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.544 0.211 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -115.13 158.02 22.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.444 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' B' ' 14' ' ' THR . 41.4 pt -141.93 143.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.79 113.25 26.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.824 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.9 t -94.03 142.03 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.839 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.468 ' NZ ' HD21 ' A' ' 52' ' ' ASN . 48.1 mttp -95.35 122.17 37.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' B' ' 8' ' ' LEU . 62.2 m -103.54 129.89 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.73 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 82.3 mt -34.79 -64.35 0.26 Allowed 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.893 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.2 m -37.78 -60.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.219 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.5 22.94 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.426 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -111.47 120.62 42.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -84.58 86.75 7.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.579 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mm -82.3 109.21 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.695 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 50.5 m -81.24 151.98 27.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.574 -0.898 . . . . 10.0 108.574 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.403 HD11 HD11 ' B' ' 3' ' ' ILE . 4.2 pp -147.72 147.46 29.95 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.22 130.54 39.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.592 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.414 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.1 p -164.24 157.44 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.941 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG22 ' B' ' 17' ' ' VAL . 7.5 mp0 -119.7 161.15 39.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.306 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.65 -24.44 75.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.572 2.181 . . . . 10.0 112.772 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -88.35 -10.35 49.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.684 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.33 147.44 51.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 111.183 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -90.74 165.75 13.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 36.2 mm -72.68 -38.55 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.955 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -56.3 -35.93 68.1 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.308 0.575 . . . . 10.0 109.527 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -68.71 -58.15 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.01 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -45.74 -33.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.542 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.24 -46.35 77.43 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.996 0.427 . . . . 10.0 110.02 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.85 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.989 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -49.65 -30.34 8.84 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.519 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -81.44 -36.03 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 10.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -77.74 -6.02 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.122 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.17 -6.87 17.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.2 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -125.69 -21.42 4.45 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.185 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -125.81 -13.99 6.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.092 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.08 34.15 80.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.26 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.2 mt -99.96 120.97 55.62 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.24 135.55 69.45 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.5 2.133 . . . . 10.0 112.395 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.58 -36.27 54.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.629 2.22 . . . . 10.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.24 -4.88 19.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.63 19.73 7.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.946 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.31 100.76 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.497 HH22 ' NE2' ' B' ' 49' ' ' GLN . 27.0 mmm180 -97.06 117.53 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.766 HD12 HD22 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -110.65 118.2 35.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.307 -179.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.52 ' N ' HD13 ' B' ' 43' ' ' LEU . 11.0 mm -121.67 128.81 75.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' B' ' 50' ' ' LEU . 74.2 t80 -134.51 135.03 42.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.906 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.18 23.73 12.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.902 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.99 35.33 35.18 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.765 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -157.47 120.11 3.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.497 ' NE2' HH22 ' B' ' 42' ' ' ARG . 2.3 pt20 -54.54 141.37 31.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.264 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.766 HD22 HD12 ' B' ' 43' ' ' LEU . 7.3 mp -91.13 119.29 31.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.57 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 53' ' ' GLY . 0.5 OUTLIER -79.47 129.47 34.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.314 -178.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.479 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.8 m-20 -57.65 -7.67 0.72 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -99.63 11.31 61.17 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 114.755 -1.111 . . . . 10.0 114.332 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.518 ' HE ' ' CG ' ' B' ' 58' ' ' ASP . 27.1 mmm180 -134.54 162.18 33.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.162 0.481 . . . . 10.0 111.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 46.8 p -100.12 168.51 9.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.595 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.62 -45.25 85.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.073 0.463 . . . . 10.0 110.134 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.6 p -50.56 -31.68 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.433 -0.803 . . . . 10.0 111.864 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.518 ' CG ' ' HE ' ' B' ' 54' ' ' ARG . 39.0 t70 -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 110.504 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -99.7 23.4 9.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.497 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.9 m120 41.93 36.92 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.24 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -78.46 105.59 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 10.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -92.12 -175.06 3.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.8 159.05 28.88 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.864 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 58.41 29.6 18.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.423 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -70.59 -159.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.969 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -160.04 88.17 0.81 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.09 0.471 . . . . 10.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' B' ' 43' ' ' LEU . 25.1 mt -79.78 157.51 27.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.23 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -117.24 115.8 26.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.889 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 tt -101.37 113.54 26.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 10.0 111.013 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.41 ' HA ' HD21 ' B' ' 8' ' ' LEU . 19.2 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.801 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 110.267 -0.271 . . . . 10.0 110.267 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 5.6 m-85 -120.91 160.52 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.371 0.605 . . . . 10.0 112.234 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.634 HG23 HG21 ' A' ' 57' ' ' ILE . 3.5 pt -120.04 117.95 55.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.931 HG12 HG12 ' A' ' 54' ' ' VAL . 4.8 m -99.8 106.12 18.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 12.0 mm-40 -103.26 95.63 6.23 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 118.775 -1.17 . . . . 10.0 108.354 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.423 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -179.06 178.81 0.71 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.488 178.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 8.2 p-10 -117.25 103.77 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 73.0 t80 -128.54 121.26 28.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.392 . . . . 10.0 111.498 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -101.19 117.55 35.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.341 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 118.67 3.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 10.0 110.64 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.445 HG23 ' ND1' ' A' ' 14' ' ' HIS . 6.6 m -88.16 -10.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.049 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.445 ' ND1' HG23 ' A' ' 13' ' ' VAL . 65.0 m80 -148.18 172.44 14.31 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.544 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.82 -43.45 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.58 -9.48 58.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.25 138.63 31.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.727 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 42' ' ' LEU . 21.9 tp -101.85 134.58 44.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.379 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.562 ' O ' HD23 ' A' ' 42' ' ' LEU . 7.7 t -86.19 114.62 23.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.764 ' HB ' HG21 ' A' ' 6' ' ' VAL . 29.2 pt -110.67 120.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -115.51 154.14 29.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.604 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.8 t -47.06 123.83 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.32 -17.36 57.48 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.787 -0.642 . . . . 10.0 114.023 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -71.72 122.2 20.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 10.0 111.386 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.463 HG12 HG22 ' A' ' 5' ' ' ILE . 20.5 mt -91.15 127.16 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.068 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.692 ' CD1' HD22 ' A' ' 42' ' ' LEU . 3.5 mm -96.44 124.28 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 28' ' ' ASN . 6.0 mmp_? -47.98 157.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.351 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 27' ' ' ARG . 19.7 p-10 -20.61 104.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.735 0.647 . . . . 10.0 111.714 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 3.0 m -89.43 150.08 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.735 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -127.87 127.93 44.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.395 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -59.37 130.8 48.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.525 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.607 HD11 ' SD ' ' A' ' 48' ' ' MET . 44.6 mt -91.37 172.41 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.671 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.443 ' NE2' ' N ' ' A' ' 33' ' ' GLN . 1.4 mp0 -74.16 -7.25 51.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' B' ' 8' ' ' LEU . 57.4 mt-10 -100.45 130.33 46.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 19.2 tt0 -63.66 125.36 24.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.428 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 84.65 8.87 82.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.011 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.495 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.4 m0 -123.06 124.92 44.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 10.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 37' ' ' TRP . 9.1 mp -122.41 155.98 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.262 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.507 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tm-20 -115.97 138.63 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.66 174.64 40.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.018 -0.611 . . . . 10.0 111.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 6.0 mp0 -111.88 116.45 30.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 10.0 110.993 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.692 HD22 ' CD1' ' A' ' 26' ' ' ILE . 54.8 tp -134.8 133.39 39.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.022 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m120 62.04 29.46 17.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.613 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.69 -5.23 65.64 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.691 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -113.76 130.14 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.879 0.339 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.7 129.74 36.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.17 174.05 36.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.181 -1.009 . . . . 10.0 113.443 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.607 ' SD ' HD11 ' A' ' 32' ' ' LEU . 5.9 mmt -92.41 146.88 23.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.65 -0.275 . . . . 10.0 110.362 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CD1' HG11 ' A' ' 54' ' ' VAL . 10.8 p90 -148.1 148.29 29.1 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.431 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 47.4 Cg_exo -57.6 140.57 93.82 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.715 2.277 . . . . 10.0 112.251 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.34 -34.36 70.44 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.05 8.98 1.33 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 18.9 m-30 -122.37 -1.82 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.0 0.429 . . . . 10.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.931 HG12 HG12 ' A' ' 6' ' ' VAL . 5.1 m -127.17 146.68 32.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -128.56 125.2 37.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.284 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . 42.0 tt0 -61.19 125.31 23.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.041 0.385 . . . . 10.0 112.041 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.634 HG21 HG23 ' A' ' 5' ' ' ILE . 4.8 tp -123.32 109.49 23.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.452 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.76 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.519 0.2 . . . . 10.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -108.91 157.52 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.506 HD13 HG11 ' B' ' 17' ' ' VAL . 25.7 pt -144.68 139.9 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 10.0 111.637 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -81.88 159.7 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' B' ' 13' ' ' ILE . 55.4 t -150.62 94.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 10.0 111.106 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -54.92 124.65 17.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.542 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -107.14 130.32 54.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.441 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 96.7 mt -38.87 -50.26 1.7 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.813 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -50.96 -60.44 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 10.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 157.51 7.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.666 -0.778 . . . . 10.0 113.039 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -86.97 157.86 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 10.0 111.537 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.3 m -96.64 -38.25 10.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.032 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.457 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.6 pt 38.61 87.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 3' ' ' ILE . 95.0 m -96.9 113.57 25.12 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.195 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.634 ' H ' HD23 ' B' ' 15' ' ' LEU . 2.5 pt? -107.2 158.24 17.26 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.85 136.09 37.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.842 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.506 HG11 HD13 ' B' ' 3' ' ' ILE . 7.9 p -165.2 160.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.09 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.433 ' N ' HG22 ' B' ' 17' ' ' VAL . 18.0 mt-10 -118.9 162.7 29.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.079 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -62.04 -27.58 79.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 10.0 112.3 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -85.8 -9.45 57.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.838 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -70.4 149.0 47.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.724 0.297 . . . . 10.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -92.16 166.63 12.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.088 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.514 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.3 mm -73.63 -34.28 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.25 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.64 -33.42 73.9 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -71.57 -55.66 7.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.033 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.455 ' O ' HG12 ' B' ' 30' ' ' ILE . 24.6 t -46.96 -33.15 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.26 -0.882 . . . . 10.0 111.33 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -73.54 -32.36 64.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.887 0.375 . . . . 10.0 110.717 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' B' ' 31' ' ' GLN . . . -82.02 -1.87 49.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.93 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -99.3 -20.71 16.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 36' ' ' ILE . 20.0 mm -87.21 -34.23 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.049 -0.978 . . . . 10.0 109.112 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HG3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -77.97 -4.58 47.7 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.084 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.04 -10.91 15.78 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -125.76 -12.62 6.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.483 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -133.08 -16.42 2.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.739 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 36.32 87.0 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.527 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 30' ' ' ILE . 14.0 tt -102.61 120.22 53.58 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.745 0.272 . . . . 10.0 110.514 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 58.2 Cg_exo -52.41 132.8 46.27 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.568 2.179 . . . . 10.0 112.611 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.8 Cg_exo -60.92 -36.8 81.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.635 2.224 . . . . 10.0 111.993 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.42 -14.58 61.24 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -104.4 -28.06 11.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.365 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.61 111.3 5.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.871 . . . . 10.0 112.985 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.43 ' HG2' HD11 ' B' ' 44' ' ' ILE . 26.6 ttm-85 -110.64 119.1 38.03 Favored 'General case' 0 C--N 1.334 -0.074 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.12 126.3 53.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' B' ' 42' ' ' ARG . 4.4 mp -127.21 127.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.694 0.283 . . . . 10.0 110.517 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -132.91 133.92 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.05 22.38 11.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.547 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 82.13 21.98 59.93 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.491 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -141.03 119.18 12.01 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.948 0.404 . . . . 10.0 111.131 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.47 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 22.5 mp0 -57.56 130.97 48.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.537 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 50' ' ' LEU . 5.3 mp -80.07 123.84 28.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.917 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' B' ' 53' ' ' GLY . 7.2 mm-40 -82.71 130.52 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.969 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.514 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.4 p-10 -57.91 -5.39 0.42 Allowed 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.51 11.53 58.1 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 114.57 -1.196 . . . . 10.0 114.461 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.62 -171.81 2.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.156 0.478 . . . . 10.0 111.371 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.521 ' C ' ' H ' ' B' ' 57' ' ' SER . 25.2 p -129.93 160.18 34.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.768 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.443 ' N ' HD12 ' B' ' 56' ' ' LEU . 7.2 mp -67.11 12.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.521 ' H ' ' C ' ' B' ' 55' ' ' THR . 81.3 p -108.31 -27.9 9.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.09 -36.84 82.86 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.15 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -100.28 20.08 15.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.428 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 t30 43.1 41.19 2.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -81.31 104.89 10.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.781 0.324 . . . . 10.0 111.451 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -91.05 -177.14 4.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.197 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 53.0 tttm -66.77 159.79 27.22 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.67 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' B' ' 63' ' ' LYS . 41.9 mt-10 58.67 28.42 17.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.381 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -96.3 147.5 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.355 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -87.2 155.21 20.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.237 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' B' ' 3' ' ' ILE . 97.1 mt -148.41 113.01 5.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -77.09 124.22 27.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 tp -108.87 116.05 31.24 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.554 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-O 120.968 0.413 . . . . 10.0 111.891 -178.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 57' ' ' ILE . 6.6 m-20 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.716 0.293 . . . . 10.0 110.37 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.678 ' HB2' HG21 ' A' ' 29' ' ' VAL . 6.0 m-85 -130.35 164.67 24.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 110.972 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.408 HD11 ' HA2' ' A' ' 23' ' ' GLY . 1.8 tp -119.52 116.39 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 20' ' ' ILE . 8.4 t -99.64 105.46 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 44.1 tt0 -102.39 95.71 6.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 107.842 -1.169 . . . . 10.0 107.842 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.518 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -176.82 163.06 2.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.297 -1.319 . . . . 10.0 109.594 178.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -115.42 111.97 21.61 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' HB3' HG13 ' A' ' 20' ' ' ILE . 9.4 t80 -142.43 132.74 24.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.954 0.407 . . . . 10.0 111.18 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -103.54 121.8 43.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.363 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.0 119.07 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.089 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' ND1' ' A' ' 14' ' ' HIS . 33.1 m -100.03 -19.7 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.537 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 50.9 m80 -118.86 162.19 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.31 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.55 -35.3 78.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.426 179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -85.9 7.41 24.26 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.892 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 11.0 mm-40 -105.2 136.17 45.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.054 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 42' ' ' LEU . 17.6 tp -100.23 146.71 26.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.446 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.5 m -88.68 114.09 24.93 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.714 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.1 pp -111.6 132.06 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -120.81 149.62 42.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.175 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.0 m -48.12 123.86 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 5' ' ' ILE . . . 97.31 -21.29 46.96 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.638 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.29 120.84 19.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.864 0.332 . . . . 10.0 111.46 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.712 HD13 ' H ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -91.96 131.89 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.866 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 29' ' ' VAL . 50.1 mt -98.67 126.95 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.572 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -77.7 144.45 37.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 10.0 111.862 -179.122 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.5 m120 53.19 50.97 16.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.208 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 4' ' ' TYR . 65.8 t -78.74 115.26 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.46 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -129.54 140.57 51.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -75.45 127.02 32.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 39' ' ' GLU . 3.7 mm? -86.44 -178.42 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.568 ' NE2' ' H ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -81.25 0.1 38.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.142 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.18 132.17 46.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.564 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 24.2 tt0 -68.16 121.76 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.66 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.89 10.61 80.7 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.944 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' HG2' ' A' ' 48' ' ' MET . 0.1 OUTLIER -125.04 124.64 42.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 10.0 110.786 179.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 48' ' ' MET . 19.7 mt -127.09 151.81 48.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' HD21 ' A' ' 32' ' ' LEU . 39.0 tt0 -115.31 142.64 46.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 10.0 110.718 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -167.97 -177.79 39.47 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.772 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.15 116.31 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.967 0.413 . . . . 10.0 110.646 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' CB ' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -132.66 130.9 40.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.847 179.558 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.521 ' N ' HD23 ' A' ' 42' ' ' LEU . 88.0 m-20 59.71 29.34 18.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.671 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.1 -19.44 22.1 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.3 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -98.42 130.38 45.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.388 . . . . 10.0 111.439 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -91.7 122.63 34.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.395 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.72 166.79 32.98 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.984 . . . . 10.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 11.3 tpp -83.91 147.58 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.609 -0.295 . . . . 10.0 110.359 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.486 ' CD1' HG11 ' A' ' 54' ' ' VAL . 2.7 p90 -146.5 155.28 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.83 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 24.6 Cg_exo -62.66 137.31 63.13 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.487 2.124 . . . . 10.0 112.228 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.41 -38.11 84.12 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.13 13.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.603 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 3.3 m-85 -117.54 -25.74 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.978 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 HG22 ' A' ' 6' ' ' VAL . 3.2 m -102.03 150.36 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.7 123.69 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.976 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 11.3 pt-20 -44.72 137.15 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 10.0 111.709 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 3' ' ' ASP . 8.4 tp -76.12 129.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -0.816 . . . . 10.0 110.638 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.604 0.24 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.73 156.91 19.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.3 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.496 ' O ' HG23 ' B' ' 14' ' ' THR . 32.2 pt -120.02 -160.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.3 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -159.16 94.04 1.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.102 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.54 136.38 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.528 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -97.06 120.97 38.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.036 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.8 p -103.7 131.47 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.65 0.262 . . . . 10.0 110.91 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -38.12 -52.5 1.43 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -44.23 -58.16 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.244 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.564 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.71 25.33 0.1 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.782 -0.723 . . . . 10.0 113.104 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.51 132.89 56.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.3 p -94.64 82.47 3.96 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 13' ' ' ILE . 16.7 pt -80.06 106.71 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-O 121.489 0.661 . . . . 10.0 111.219 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' B' ' 3' ' ' ILE . 18.4 m -79.55 158.63 27.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 107.686 -1.227 . . . . 10.0 107.686 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.718 HD21 ' HB2' ' B' ' 29' ' ' LYS . 42.9 tp -152.75 146.89 25.46 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.188 0.449 . . . . 10.0 112.01 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -75.2 134.49 41.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.282 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.505 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.2 p -166.33 163.32 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.937 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.505 ' N ' HG22 ' B' ' 17' ' ' VAL . 29.4 mt-10 -126.2 159.36 62.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.239 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.32 -26.85 72.63 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.368 2.045 . . . . 10.0 112.66 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -86.31 -15.28 41.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.898 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 143.52 57.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.878 0.37 . . . . 10.0 111.536 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -86.51 163.94 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.65 HD13 ' HB3' ' B' ' 50' ' ' LEU . 44.8 mt -72.92 -32.74 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.509 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.6 -30.67 71.75 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.289 0.566 . . . . 10.0 109.514 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.94 -56.95 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.188 -0.914 . . . . 10.0 108.72 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 71.6 t -45.91 -33.85 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.07 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -66.79 -45.52 78.16 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.494 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -56.11 -51.86 66.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.324 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.718 ' HB2' HD21 ' B' ' 15' ' ' LEU . 32.0 mmmt -51.6 -31.85 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.91 . . . . 10.0 112.244 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -75.83 -40.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.494 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 3.6 pt20 -77.58 -0.86 28.03 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.692 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -108.77 -5.09 16.44 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -133.01 -10.32 3.0 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.076 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.467 ' CG ' HD13 ' B' ' 36' ' ' ILE . 26.5 tt0 -135.18 -18.47 1.77 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.49 32.44 64.74 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.528 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.467 HD13 ' CG ' ' B' ' 34' ' ' GLU . 1.5 mp -100.21 116.62 64.31 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.886 0.343 . . . . 10.0 110.773 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.6 Cg_exo -52.16 132.92 45.47 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.81 2.34 . . . . 10.0 112.811 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.9 Cg_exo -59.26 -38.97 82.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.807 2.338 . . . . 10.0 112.328 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.35 2.83 3.4 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.162 0.506 . . . . 10.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.61 19.78 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.284 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -118.94 100.62 7.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.893 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 14' ' ' HIS . 20.9 mmt180 -96.34 122.88 39.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.734 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.64 121.95 46.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.158 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mt -122.68 128.55 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.314 . . . . 10.0 110.649 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -134.22 131.19 38.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.74 9.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.991 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.15 31.29 31.95 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.569 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.72 115.18 4.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 10.0 110.725 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -53.75 135.59 41.16 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' B' ' 23' ' ' ILE . 86.7 mt -84.59 119.18 24.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.587 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -77.11 123.29 26.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.192 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.09 -19.63 0.08 Allowed 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.864 0.84 . . . . 10.0 108.766 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.544 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -65.97 -74.1 0.55 Allowed Glycine 0 N--CA 1.422 -2.278 0 CA-C-N 113.854 -1.521 . . . . 10.0 112.818 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -58.29 168.89 0.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.2 t -105.04 176.19 5.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 113.863 -1.517 . . . . 10.0 109.979 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.24 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 10.0 110.397 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -50.73 -32.64 20.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.703 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.28 -52.01 67.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.096 0.474 . . . . 10.0 109.972 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -89.56 25.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.935 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 39.6 35.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.881 -0.599 . . . . 10.0 112.226 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -74.67 108.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -94.14 -177.68 4.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -69.05 157.08 37.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.126 0.489 . . . . 10.0 111.859 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.49 26.2 15.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.305 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 t -95.54 148.97 21.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.401 ' C ' HD12 ' B' ' 67' ' ' LEU . 10.2 t -87.49 153.81 21.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.663 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.401 HD12 ' C ' ' B' ' 66' ' ' THR . 5.5 mp -145.46 110.37 5.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' CG2' ' B' ' 70' ' ' VAL . 12.9 t-160 -74.09 118.22 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.471 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.0 tt -103.15 112.91 25.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.398 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.433 ' CG2' ' CE1' ' B' ' 68' ' ' HIS . 58.7 t . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.596 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 57' ' ' ILE . 5.1 p-10 . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.829 0.347 . . . . 10.0 110.622 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.763 ' HB2' HG21 ' A' ' 29' ' ' VAL . 5.0 m-85 -130.37 165.7 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 tp -120.75 117.13 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.32 -1.363 . . . . 10.0 107.32 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.655 HG22 HG12 ' A' ' 54' ' ' VAL . 15.4 t -102.69 105.29 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 N-CA-C 112.806 0.669 . . . . 10.0 112.806 -176.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 42.3 mt-10 -102.66 95.62 6.33 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.434 -1.321 . . . . 10.0 107.434 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -177.33 168.99 2.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.334 -1.303 . . . . 10.0 109.492 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 9.5 m-20 -117.57 110.54 18.06 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB3' HG12 ' A' ' 20' ' ' ILE . 33.3 t80 -140.81 133.16 28.3 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.03 0.443 . . . . 10.0 111.453 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.02 125.74 51.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.14 119.58 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.23 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 t -85.96 -16.62 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.009 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -139.68 172.66 12.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.326 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.37 -44.1 68.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.929 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -66.5 -1.67 3.84 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.794 0.33 . . . . 10.0 110.499 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -106.37 136.19 46.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.07 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.446 ' HA ' HH21 ' A' ' 45' ' ' ARG . 0.5 OUTLIER -98.61 143.92 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.522 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -89.73 114.64 26.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.549 HD12 HG11 ' A' ' 6' ' ' VAL . 2.1 pt -114.18 129.54 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.636 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -117.55 154.31 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.35 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 52.8 t -48.54 123.59 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.234 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.03 -17.81 58.61 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.032 -0.604 . . . . 10.0 113.529 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 118.75 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 10.0 111.234 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 pt -91.92 133.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.295 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 34.9 mt -99.6 127.21 52.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.597 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -71.99 145.7 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.713 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 40.77 63.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.539 -0.755 . . . . 10.0 113.034 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.763 HG21 ' HB2' ' A' ' 4' ' ' TYR . 54.1 t -83.79 124.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 10.0 110.484 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -131.33 140.8 49.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.637 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 31' ' ' LYS . 2.4 mppt? -67.45 133.2 49.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.989 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 34.0 tp -89.54 170.5 10.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.369 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.445 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 12.8 mm100 -74.16 -1.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.403 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.0 135.53 48.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.727 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.615 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 18.5 tt0 -65.55 120.18 12.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.22 13.35 68.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.424 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CZ2' HG12 ' B' ' 70' ' ' VAL . 70.1 m95 -122.74 125.22 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 10.0 110.804 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -130.62 150.85 51.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.79 140.42 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.792 0.329 . . . . 10.0 110.656 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -165.83 -179.47 39.44 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.683 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.87 116.28 27.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 10.0 110.648 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.16 134.66 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 61.65 29.26 18.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.99 16.55 80.6 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.019 -0.61 . . . . 10.0 113.658 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.446 HH21 ' HA ' ' A' ' 18' ' ' LEU . 51.5 ttp85 -138.55 133.66 32.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.722 0.296 . . . . 10.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 16.9 ptm180 -87.96 123.83 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 161.37 29.28 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.762 -0.732 . . . . 10.0 112.833 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -85.43 146.86 26.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 10.0 110.319 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.663 ' CD1' HG11 ' A' ' 54' ' ' VAL . 1.4 p90 -141.9 157.38 64.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.411 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 15.5 Cg_exo -67.96 136.37 37.97 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.641 2.227 . . . . 10.0 111.925 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.13 -35.96 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -73.66 15.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' O ' HG13 ' A' ' 6' ' ' VAL . 4.6 m-85 -123.9 -28.74 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.159 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.663 HG11 ' CD1' ' A' ' 49' ' ' PHE . 4.4 m -102.69 147.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.812 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -132.4 127.27 35.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.293 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -44.18 139.59 2.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.372 . . . . 10.0 111.641 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 3' ' ' ASP . 10.5 tp -73.83 128.08 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.46 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.793 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.481 0.182 . . . . 10.0 111.069 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -110.32 156.03 21.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.83 0.348 . . . . 10.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.733 ' O ' HD12 ' B' ' 3' ' ' ILE . 2.1 pp -140.16 145.0 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.474 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -102.88 114.96 29.67 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.14 141.83 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.479 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.38 119.3 36.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.435 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -100.19 130.86 46.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.862 0.363 . . . . 10.0 111.528 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.773 ' H ' HD12 ' B' ' 8' ' ' LEU . 2.3 mp -40.53 -47.96 2.76 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 10.0 112.153 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 m -53.87 -53.42 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 10.0 110.771 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.615 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 144.04 22.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.111 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -112.59 129.01 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 10.0 111.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -95.73 89.28 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.507 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 mm -86.84 109.58 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.314 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 1.9 t -96.09 111.95 23.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.484 ' N ' HD12 ' B' ' 15' ' ' LEU . 5.0 mp -103.16 160.0 15.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -78.12 138.84 38.93 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.4 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.454 HG22 ' N ' ' B' ' 18' ' ' GLU . 10.8 p -166.16 159.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 10.0 111.427 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.454 ' N ' HG22 ' B' ' 17' ' ' VAL . 35.9 mt-10 -119.92 158.33 50.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.18 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' B' ' 18' ' ' GLU . 18.1 Cg_endo -59.62 -26.82 83.31 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.421 2.08 . . . . 10.0 112.334 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -86.86 -9.59 55.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.614 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.44 146.88 52.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 10.0 111.208 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.1 p -89.61 166.05 13.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.142 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 26.1 mm -74.98 -34.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.866 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.11 -35.74 75.91 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.81 -60.09 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.286 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.446 HG12 ' O ' ' B' ' 23' ' ' ILE . 0.3 OUTLIER -44.98 -29.49 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.073 178.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.68 -44.8 76.92 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.14 50.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -47.58 -30.9 3.95 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.3 mm -76.64 -39.9 32.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.889 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -79.42 -1.58 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -108.92 -11.24 15.02 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.114 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -130.31 -2.98 4.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.141 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' B' ' 36' ' ' ILE . 18.6 tt0 -138.03 -21.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.527 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.51 27.97 66.54 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 121.151 -0.547 . . . . 10.0 113.483 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.487 HD13 ' HG2' ' B' ' 34' ' ' GLU . 1.6 mp -98.4 120.3 59.69 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.797 0.298 . . . . 10.0 110.758 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.24 139.72 62.89 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.626 2.218 . . . . 10.0 112.225 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.95 -37.11 27.83 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.484 2.122 . . . . 10.0 111.926 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -67.35 -12.24 59.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.815 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.32 19.69 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.099 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.63 97.11 5.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.351 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -94.33 119.44 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.618 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.0 116.38 29.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.335 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' B' ' 68' ' ' HIS . 26.9 pt -119.5 130.45 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -134.92 133.87 40.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 16.32 8.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 89.75 11.9 63.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.96 -0.638 . . . . 10.0 112.934 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -131.25 121.13 24.24 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.758 0.313 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -60.74 126.62 28.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -75.74 124.21 26.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.557 ' HG3' ' H ' ' B' ' 53' ' ' GLY . 8.6 tp10 -82.98 131.72 35.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.776 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.8 m-20 -60.68 -2.28 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.524 0.678 . . . . 10.0 109.453 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.557 ' H ' ' HG3' ' B' ' 51' ' ' GLU . . . -103.1 10.2 54.99 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 114.736 -1.12 . . . . 10.0 113.705 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -134.14 159.53 40.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 10.0 111.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 66.0 p -97.69 169.65 9.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.42 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.01 -44.55 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 10.0 109.952 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -48.62 -35.01 12.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.823 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.85 -48.94 79.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.053 0.454 . . . . 10.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.65 23.67 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 p30 40.55 40.49 0.91 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.008 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -79.79 105.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.464 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -90.36 -178.04 5.25 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.921 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 158.46 33.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.126 0.489 . . . . 10.0 111.895 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 61.06 28.03 17.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.1 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 82.6 p -97.65 147.16 24.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.507 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -84.09 155.69 22.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -149.53 102.59 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.445 ' HB3' ' CG1' ' B' ' 44' ' ' ILE . 7.9 t-80 -69.52 124.59 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -108.22 118.83 37.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.217 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.431 HG12 ' CZ2' ' A' ' 37' ' ' TRP . 12.9 m . . . . . 0 C--N 1.331 -0.197 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.366 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.912 0.387 . . . . 10.0 110.772 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.666 ' HB2' HG21 ' A' ' 29' ' ' VAL . 7.0 m-85 -128.27 166.68 18.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 10.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -127.56 117.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 177.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.861 HG22 HG12 ' A' ' 54' ' ' VAL . 19.9 t -98.24 107.4 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 N-CA-C 113.234 0.828 . . . . 10.0 113.234 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.0 mt-10 -100.78 94.82 6.26 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.444 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -178.08 172.89 1.55 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.33 -1.305 . . . . 10.0 109.427 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.03 110.66 15.62 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HB3' HG12 ' A' ' 20' ' ' ILE . 73.6 t80 -140.29 131.87 27.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.945 0.402 . . . . 10.0 111.034 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.03 125.27 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 119.6 6.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -92.33 -18.19 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.231 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.474 ' CG ' ' H ' ' A' ' 15' ' ' ASP . 43.2 t-80 -137.6 175.84 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.885 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 t70 -65.65 -44.77 85.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.8 -1.12 18.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.07 135.92 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.272 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 42' ' ' LEU . 19.6 tp -104.24 138.69 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.186 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -85.57 113.19 21.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.634 HD12 HG11 ' A' ' 6' ' ' VAL . 7.0 pt -114.95 128.23 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -121.48 156.69 32.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.47 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 15.7 m -47.95 124.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 10.0 112.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.92 -21.18 40.97 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.01 -0.614 . . . . 10.0 113.686 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.26 114.87 8.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.959 0.38 . . . . 10.0 111.045 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 pt -87.96 134.13 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD13 ' CE2' ' A' ' 49' ' ' PHE . 42.1 mt -101.54 123.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.476 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -74.87 146.66 41.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.165 0.507 . . . . 10.0 111.772 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.539 ' N ' HD22 ' A' ' 28' ' ' ASN . 0.9 OUTLIER 43.69 62.12 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.437 -0.802 . . . . 10.0 113.044 178.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 4' ' ' TYR . 73.5 t -82.86 123.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 10.0 110.465 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -128.39 133.99 48.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 31' ' ' LYS . 2.3 mppt? -68.43 128.77 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.606 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.51 176.79 7.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.797 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.453 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -76.92 -6.68 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.405 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -96.88 131.21 43.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.409 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.465 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 20.1 tt0 -65.46 122.2 16.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.47 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.42 8.72 80.52 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.758 -0.656 . . . . 10.0 113.508 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.549 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -124.47 124.88 43.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 10.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 37' ' ' TRP . 8.5 mp -125.44 155.25 40.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.353 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp20? -115.82 146.32 42.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.759 0.314 . . . . 10.0 110.363 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -170.97 -178.29 41.43 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.061 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.34 115.96 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 10.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.8 tt -128.96 127.1 41.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.539 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.595 ' N ' HD23 ' A' ' 42' ' ' LEU . 63.4 t30 61.88 32.59 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.462 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.1 -20.11 8.94 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.118 -0.563 . . . . 10.0 113.551 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -100.29 130.29 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 10.0 110.904 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 46' ' ' ARG . 10.3 mtp180 -90.89 131.67 36.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.32 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.55 168.13 34.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.898 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.514 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 35.0 mtt -85.72 146.87 26.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' A' ' 54' ' ' VAL . 3.6 p90 -147.44 157.19 45.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.386 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 21.4 Cg_exo -65.23 137.85 53.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.65 2.233 . . . . 10.0 112.271 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 53' ' ' PHE . 11.9 p-10 -66.37 -41.65 89.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.723 0.638 . . . . 10.0 112.723 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -71.11 16.58 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.63 ' O ' HG13 ' A' ' 6' ' ' VAL . 3.4 m-85 -119.94 -27.53 5.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.949 0.404 . . . . 10.0 110.072 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.861 HG12 HG22 ' A' ' 6' ' ' VAL . 3.4 m -102.61 148.13 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.492 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -127.81 120.45 27.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.74 138.85 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.117 0.484 . . . . 10.0 112.105 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.451 HD11 ' CG2' ' A' ' 5' ' ' ILE . 23.9 mm -102.26 129.68 53.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.117 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.133 -0.937 . . . . 10.0 110.954 -179.599 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.495 0.188 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -107.67 156.69 18.79 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.632 0.253 . . . . 10.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -139.08 144.97 28.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.408 179.468 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.93 112.55 25.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 10.0 111.762 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.36 141.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.272 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -98.63 123.66 42.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -102.39 129.49 48.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.354 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.426 HD22 ' CE3' ' A' ' 37' ' ' TRP . 83.5 mt -42.16 -38.07 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.434 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -59.73 -54.09 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.809 0.338 . . . . 10.0 110.462 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.465 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.76 23.5 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.985 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.02 137.93 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.439 . . . . 10.0 111.993 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -103.69 89.59 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.506 -0.77 . . . . 10.0 108.933 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 pt -81.01 116.87 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.611 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 44.0 p -90.26 124.71 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.145 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.34 147.52 46.95 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.91 130.61 37.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.752 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.412 HG22 ' N ' ' B' ' 18' ' ' GLU . 11.4 p -160.37 157.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.228 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.412 ' N ' HG22 ' B' ' 17' ' ' VAL . 35.0 mm-40 -119.31 159.61 44.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.01 -25.73 80.46 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.56 2.173 . . . . 10.0 112.35 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -88.18 -11.1 47.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.438 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.17 145.51 55.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.233 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.3 p -91.24 160.65 15.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.209 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.4 mm -67.91 -39.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.155 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.93 -33.16 66.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.99 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.89 -56.31 5.95 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.436 ' HA ' ' NZ ' ' B' ' 29' ' ' LYS . 93.7 t -45.17 -34.21 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.0 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.77 -46.94 80.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.914 0.388 . . . . 10.0 110.08 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.53 57.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.334 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' B' ' 26' ' ' VAL . 37.4 mtmm -49.58 -30.49 8.75 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.514 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -78.79 -38.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' B' ' 31' ' ' GLN . 0.9 OUTLIER -77.41 -4.41 45.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.509 179.235 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -107.75 -10.78 15.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.103 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -124.5 -15.42 6.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.342 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -129.79 -14.39 4.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.418 -0.356 . . . . 10.0 111.106 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 35.25 88.47 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.25 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 53.4 mt -102.74 118.07 59.27 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.693 0.247 . . . . 10.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 9.8 Cg_endo -54.34 133.74 57.57 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.625 2.217 . . . . 10.0 112.723 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -59.51 -37.9 86.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.965 2.444 . . . . 10.0 112.77 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.86 -11.84 57.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.982 0.42 . . . . 10.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -118.92 21.05 12.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.438 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 22.4 mt-30 -116.12 102.53 9.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.248 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.436 ' HB2' HG13 ' B' ' 70' ' ' VAL . 57.0 mtp180 -98.03 117.98 33.59 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.493 ' N ' HD12 ' B' ' 43' ' ' LEU . 6.5 mp -110.5 119.18 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.162 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.434 ' N ' HD12 ' B' ' 44' ' ' ILE . 4.8 mp -123.03 129.2 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 10.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -136.26 133.3 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 19.67 9.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.678 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.5 30.83 32.09 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.614 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -150.21 118.12 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.022 0.439 . . . . 10.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 23.1 mp0 -56.35 132.74 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.67 125.99 30.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.335 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 34.9 tt0 -85.08 129.55 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.132 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.62 -26.57 13.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.527 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -90.73 13.78 64.85 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.136 -0.554 . . . . 10.0 113.62 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -125.22 154.41 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.684 0.278 . . . . 10.0 110.794 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.6 p -99.08 169.16 9.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.715 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.1 -44.56 87.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.47 . . . . 10.0 110.059 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -50.16 -32.8 17.11 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.619 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.055 0.455 . . . . 10.0 110.4 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -95.87 23.2 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.754 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 42.47 36.19 0.75 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.181 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -76.74 106.3 6.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 10.0 111.403 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -92.87 -179.41 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.781 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.68 157.72 33.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.113 0.483 . . . . 10.0 111.867 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.86 26.1 14.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.265 -0.88 . . . . 10.0 111.187 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -71.94 -161.35 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 32.6 p -157.49 90.47 1.1 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.846 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.4 mp -84.23 154.44 23.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -113.89 118.48 34.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.553 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.449 HD23 ' C ' ' B' ' 69' ' ' LEU . 5.1 tt -101.51 114.47 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.231 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.436 HG13 ' HB2' ' B' ' 42' ' ' ARG . 12.7 p . . . . . 0 C--N 1.332 -0.186 0 CA-C-O 120.966 0.412 . . . . 10.0 111.703 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.603 0.239 . . . . 10.0 111.265 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.13 117.33 23.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.309 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.516 ' CD2' HG11 ' A' ' 29' ' ' VAL . 5.0 m-30 -103.25 167.62 9.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.503 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.9 tt -123.4 121.69 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.266 -0.879 . . . . 10.0 108.935 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.86 HG21 ' HB ' ' A' ' 20' ' ' ILE . 30.0 m -97.43 107.02 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 3.5 mp0 -97.23 96.43 8.41 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 118.555 -1.258 . . . . 10.0 108.61 176.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.7 OUTLIER -178.14 -171.45 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.296 -1.32 . . . . 10.0 108.339 178.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -133.34 34.05 3.54 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.5 -0.48 . . . . 10.0 111.084 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -58.89 135.11 57.45 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.252 -0.431 . . . . 10.0 111.527 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -112.71 130.92 55.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.552 -0.749 . . . . 10.0 110.621 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.08 119.33 4.93 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 10.0 110.749 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.1 m -90.43 -24.8 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.143 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.495 ' HB2' ' HG2' ' A' ' 17' ' ' GLU . 29.4 m80 -127.35 175.62 8.06 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.718 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -67.18 -39.97 86.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.17 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.428 ' O ' ' HG2' ' A' ' 48' ' ' MET . 5.3 p-10 -78.8 -1.2 33.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.128 -179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' HB2' ' A' ' 14' ' ' HIS . 50.4 mm-40 -91.48 142.16 27.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.39 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.52 140.32 38.79 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.529 -0.545 . . . . 10.0 109.529 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.2 m -86.72 113.48 22.6 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.584 -0.446 . . . . 10.0 109.812 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.86 ' HB ' HG21 ' A' ' 6' ' ' VAL . 22.1 pt -113.19 123.64 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.959 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.519 ' O ' HG23 ' A' ' 6' ' ' VAL . 98.7 mtt180 -122.88 161.35 24.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.751 -0.659 . . . . 10.0 110.686 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.534 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 20.1 t -47.64 124.12 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.904 -0.589 . . . . 10.0 112.456 -179.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 90.01 -20.31 37.07 Favored Glycine 0 C--N 1.332 0.347 0 CA-C-N 115.729 -0.669 . . . . 10.0 113.738 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.68 ' O ' HG22 ' A' ' 6' ' ' VAL . 24.4 mt-10 -68.1 115.12 7.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 117.072 0.436 . . . . 10.0 111.041 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.6 pt -90.44 129.09 41.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.487 . . . . 10.0 110.457 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.705 ' N ' HD12 ' A' ' 26' ' ' ILE . 1.4 mp -96.07 123.37 48.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.332 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 41' ' ' GLU . 92.4 mtt180 -70.91 144.89 50.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.351 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 57.5 t30 35.71 70.66 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 113.068 0.766 . . . . 10.0 113.068 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.516 HG11 ' CD2' ' A' ' 4' ' ' TYR . 25.2 t -82.2 130.21 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.016 178.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -130.27 132.67 46.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.26 -0.427 . . . . 10.0 110.808 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -72.38 126.95 31.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.474 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -87.44 178.62 6.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.014 -0.539 . . . . 10.0 110.964 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.659 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 7.1 mp0 -93.89 128.37 40.15 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.467 179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.625 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 17.7 tt0 -57.59 118.22 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 10.0 112.114 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.89 -32.63 5.72 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.624 -0.716 . . . . 10.0 112.869 179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 15.5 m95 -73.1 124.28 25.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.835 0.35 . . . . 10.0 111.049 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.884 HD12 HG11 ' A' ' 54' ' ' VAL . 32.5 mt -126.4 149.59 49.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.276 -1.009 . . . . 10.0 108.276 178.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -116.15 138.45 51.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.805 0.336 . . . . 10.0 110.255 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.53 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -164.47 178.24 39.8 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.095 -179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 4.3 mp0 -108.88 115.51 30.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.988 0.423 . . . . 10.0 110.744 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.667 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.6 tt -133.1 128.2 35.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.757 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.667 ' N ' HD23 ' A' ' 42' ' ' LEU . 12.9 t-20 61.78 32.0 18.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.426 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.38 4.86 75.62 Favored Glycine 0 C--N 1.333 0.406 0 C-N-CA 121.001 -0.619 . . . . 10.0 113.354 179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -117.46 129.5 55.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 10.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -91.69 120.44 32.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.082 -0.508 . . . . 10.0 109.715 179.004 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.85 167.55 33.22 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.657 -0.783 . . . . 10.0 112.811 -179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.518 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 20.1 ptp -93.68 151.93 19.32 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.412 ' HB2' HD13 ' A' ' 20' ' ' ILE . 16.1 p90 -152.5 150.59 25.32 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.055 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.24 145.15 78.63 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.596 2.197 . . . . 10.0 112.545 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.63 ' HA ' HG12 ' A' ' 54' ' ' VAL . 12.7 t70 -78.26 -22.32 48.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.112 -0.494 . . . . 10.0 111.648 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.5 HD21 ' CD ' ' B' ' 6' ' ' LYS . 8.1 m-80 -76.25 4.89 7.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.585 -0.28 . . . . 10.0 111.522 -179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -122.09 -6.69 8.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.383 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.884 HG11 HD12 ' A' ' 38' ' ' LEU . 14.2 p -116.7 144.41 24.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.325 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -130.35 108.55 10.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.529 -0.759 . . . . 10.0 109.699 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 4' ' ' TYR . 29.5 tt0 -54.54 122.5 10.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 10.0 111.732 -179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.5 HG23 ' O ' ' A' ' 57' ' ' ILE . 13.1 tt -121.64 101.38 10.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.393 178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.6 tttp . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.204 -0.903 . . . . 10.0 110.698 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HD3' ' B' ' 19' ' ' PRO . 23.2 ttt . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.698 0.285 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -108.89 155.31 20.97 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.917 -0.401 . . . . 10.0 109.917 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 44.1 pt -143.02 141.81 26.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.861 0.362 . . . . 10.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.45 158.94 21.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.377 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -145.0 119.91 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.093 -0.706 . . . . 10.0 109.093 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.5 ' CD ' HD21 ' A' ' 52' ' ' ASN . 45.8 tttt -83.24 117.5 22.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.68 -178.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 28.1 m -99.75 127.17 45.9 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.669 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 pp -40.07 -40.62 1.1 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.449 0.537 . . . . 10.0 112.449 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.9 p -58.97 -54.52 46.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.825 0.345 . . . . 10.0 110.718 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.625 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.66 24.69 0.11 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.917 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -113.86 133.01 55.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.014 0.435 . . . . 10.0 111.784 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -98.89 84.3 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.672 -0.695 . . . . 10.0 109.453 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 9.7 pt -79.15 110.57 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-O 121.376 0.608 . . . . 10.0 110.873 -178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 54.1 m -95.47 109.08 21.33 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.551 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.442 ' N ' HD12 ' B' ' 15' ' ' LEU . 6.5 mp -105.52 155.24 19.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.469 0.915 . . . . 10.0 113.469 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -76.14 138.1 40.51 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.09 -0.959 . . . . 10.0 110.578 178.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.463 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.5 p -165.3 159.3 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.895 0.378 . . . . 10.0 111.563 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.463 ' N ' HG22 ' B' ' 17' ' ' VAL . 8.6 mp0 -117.67 158.24 45.9 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.279 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.451 ' HD3' ' SD ' ' B' ' 1' ' ' MET . 27.7 Cg_endo -62.7 -20.72 71.78 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.355 2.036 . . . . 10.0 112.165 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 74.0 p -92.38 -11.53 34.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.303 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.48 147.72 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 10.0 111.028 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 23.7 p -91.97 162.32 14.44 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.008 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.467 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 31.3 mm -69.56 -34.95 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.278 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.8 -32.56 71.9 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.158 0.504 . . . . 10.0 109.71 178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -71.67 -56.89 4.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.433 -0.803 . . . . 10.0 108.851 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.9 t -45.84 -33.55 1.58 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 115.523 -0.762 . . . . 10.0 111.051 178.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -66.15 -42.85 88.49 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.903 0.383 . . . . 10.0 110.258 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.25 -52.1 66.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.092 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -49.57 -32.27 12.29 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.685 -0.688 . . . . 10.0 111.091 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.632 HD12 ' OE1' ' B' ' 41' ' ' GLN . 38.7 mt -77.92 -37.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.203 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.521 HE21 ' C ' ' B' ' 36' ' ' ILE . 3.8 tp-100 -76.05 -6.28 50.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.312 178.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -107.67 -9.68 15.79 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.426 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -124.55 -15.3 6.63 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.667 -0.242 . . . . 10.0 111.604 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -133.14 -10.4 2.95 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.526 -0.306 . . . . 10.0 110.979 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.12 40.82 99.63 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.083 -0.58 . . . . 10.0 113.504 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.521 ' C ' HE21 ' B' ' 31' ' ' GLN . 45.8 mm -106.87 111.96 63.56 Favored Pre-proline 0 C--O 1.233 0.198 0 CA-C-N 116.749 0.274 . . . . 10.0 110.761 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 86.7 Cg_exo -46.81 132.94 17.37 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.929 2.419 . . . . 10.0 113.03 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.3 Cg_exo -59.8 -38.67 78.67 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 122.866 2.377 . . . . 10.0 112.684 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -67.58 -13.14 61.81 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.122 0.487 . . . . 10.0 110.752 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.416 HE21 HH22 ' B' ' 72' ' ' ARG . 22.2 mp0 -117.61 21.69 12.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.009 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.632 ' OE1' HD12 ' B' ' 30' ' ' ILE . 8.4 tt0 -118.24 101.87 8.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.214 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.64 HH22 HE21 ' B' ' 49' ' ' GLN . 14.1 mmm180 -97.6 120.18 37.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.896 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 83.8 mt -112.05 119.71 39.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.389 -0.368 . . . . 10.0 110.107 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mt -123.2 128.58 75.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.336 . . . . 10.0 110.722 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.8 t80 -134.99 131.7 37.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.907 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.0 20.34 12.16 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.774 -0.648 . . . . 10.0 112.275 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.69 28.76 34.3 Favored Glycine 0 C--N 1.33 0.21 0 C-N-CA 120.746 -0.74 . . . . 10.0 113.101 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -154.94 125.76 7.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.898 0.38 . . . . 10.0 110.751 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.64 HE21 HH22 ' B' ' 42' ' ' ARG . 3.6 pt20 -56.17 140.96 42.58 Favored 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.9 mt -89.58 121.52 31.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.042 -0.981 . . . . 10.0 109.657 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.538 ' C ' ' H ' ' B' ' 53' ' ' GLY . 36.1 mt-10 -80.25 126.77 31.55 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.935 -0.575 . . . . 10.0 111.369 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.9 p-10 -57.35 -6.62 0.45 Allowed 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.981 -0.748 . . . . 10.0 108.981 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -100.0 11.48 60.55 Favored Glycine 0 N--CA 1.433 -1.516 0 CA-C-N 114.669 -1.151 . . . . 10.0 114.315 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 2.3 mmp_? -135.33 162.5 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 117.149 0.474 . . . . 10.0 111.146 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 77.9 p -99.14 168.89 9.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.7 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.451 ' N ' HD22 ' B' ' 56' ' ' LEU . 3.3 mm? -57.71 -44.58 86.0 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.0 t -49.97 -32.45 15.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.4 -0.818 . . . . 10.0 111.575 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -60.62 -46.88 88.6 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 121.051 0.453 . . . . 10.0 110.27 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -94.06 22.64 5.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.569 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 41.75 36.45 0.61 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.721 -0.672 . . . . 10.0 112.044 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -77.91 107.59 9.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.825 0.345 . . . . 10.0 111.238 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -93.27 -175.65 3.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -68.09 156.22 37.9 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 64.31 25.86 13.57 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.329 -0.85 . . . . 10.0 111.475 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.421 ' HB3' ' H ' ' B' ' 66' ' ' THR . 24.4 m -70.91 -161.41 0.05 Allowed 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.951 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.421 ' H ' ' HB3' ' B' ' 65' ' ' SER . 1.8 t -159.12 90.9 1.0 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 10.0 110.737 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.509 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.6 mp -82.5 156.58 23.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.683 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 16.2 t-80 -116.38 116.14 27.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.181 -0.463 . . . . 10.0 110.196 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.1 tp -98.58 113.13 25.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.749 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.437 HG23 ' HB2' ' B' ' 42' ' ' ARG . 20.7 m -116.87 172.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 116.235 -0.439 . . . . 10.0 111.195 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 47.4 tp -116.94 148.48 41.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.785 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.416 HH22 HE21 ' B' ' 40' ' ' GLN . 39.2 ttp180 -57.6 107.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.483 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 62.77 91.24 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.199 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.497 ' HE ' ' N ' ' B' ' 75' ' ' GLY . 7.1 tpm_? -90.05 120.22 31.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.132 -0.486 . . . . 10.0 111.19 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . 0.497 ' N ' ' HE ' ' B' ' 74' ' ' ARG . . . -95.58 -17.74 35.16 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 121.041 -0.599 . . . . 10.0 112.453 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.347 -1.252 . . . . 10.0 112.672 -179.829 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.917 0.389 . . . . 10.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.533 ' O ' HG22 ' A' ' 57' ' ' ILE . 11.5 t70 -152.13 152.29 32.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.304 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.707 ' HB2' HG21 ' A' ' 29' ' ' VAL . 7.6 m-85 -132.87 166.14 22.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.265 0.555 . . . . 10.0 111.3 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.499 HG12 HG22 ' A' ' 25' ' ' ILE . 48.5 mt -120.11 116.95 51.93 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.425 0 N-CA-C 107.461 -1.311 . . . . 10.0 107.461 178.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.932 HG12 HG12 ' A' ' 54' ' ' VAL . 15.3 m -96.6 106.59 18.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.255 0.835 . . . . 10.0 113.255 -176.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 43.1 tt0 -97.22 97.18 8.95 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.814 -1.18 . . . . 10.0 107.814 176.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.577 ' CE2' ' CE1' ' A' ' 53' ' ' PHE . 0.3 OUTLIER -175.67 171.01 2.81 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.516 -1.22 . . . . 10.0 109.097 179.25 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -117.9 28.86 8.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.918 0.389 . . . . 10.0 110.489 178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -66.21 141.09 58.17 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.795 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -122.71 141.49 51.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.32 -0.855 . . . . 10.0 110.171 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -53.72 118.98 4.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.314 -0.403 . . . . 10.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 43.7 t -91.98 -28.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.255 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 17' ' ' GLU . 5.8 t-160 -129.28 -179.87 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.158 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -67.06 -44.45 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.991 0.424 . . . . 10.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.57 -1.46 24.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.29 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' A' ' 14' ' ' HIS . 11.8 mm-40 -94.78 139.58 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.894 0.378 . . . . 10.0 110.509 179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.523 HD21 ' HB3' ' A' ' 42' ' ' LEU . 17.4 tp -106.13 139.88 39.97 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.78 -0.646 . . . . 10.0 109.897 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 4.5 t -86.99 113.94 23.17 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.891 ' HB ' HG21 ' A' ' 6' ' ' VAL . 19.6 pt -113.07 125.76 70.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.433 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -116.09 152.29 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.765 -0.652 . . . . 10.0 110.39 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.493 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 18.6 m -47.25 124.31 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.266 0.469 . . . . 10.0 112.266 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.47 -19.13 52.49 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.797 -0.638 . . . . 10.0 113.587 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.746 ' O ' HG22 ' A' ' 6' ' ' VAL . 19.4 mm-40 -68.38 119.05 12.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.77 0.319 . . . . 10.0 111.046 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.499 HG22 HG12 ' A' ' 5' ' ' ILE . 24.1 pt -91.06 128.76 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.488 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.447 HD11 HG11 ' A' ' 6' ' ' VAL . 31.7 mt -99.19 128.96 50.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.429 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.9 tpt180 -79.74 145.36 32.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.153 0.502 . . . . 10.0 111.663 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 48.75 56.98 6.85 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.461 -0.79 . . . . 10.0 112.866 178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.707 HG21 ' HB2' ' A' ' 4' ' ' TYR . 74.1 t -81.57 123.67 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.727 0.299 . . . . 10.0 110.392 178.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -132.23 150.21 52.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.79 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -72.71 130.71 41.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.943 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.3 tp -89.62 167.24 13.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.371 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.1 -15.7 63.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 10.0 110.394 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -92.77 130.9 38.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.629 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.55 ' CG ' ' HA2' ' B' ' 10' ' ' GLY . 0.7 OUTLIER -64.59 123.28 18.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 10.0 110.972 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 86.26 12.04 71.23 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.646 -0.706 . . . . 10.0 112.713 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.47 ' CD1' ' HB3' ' A' ' 48' ' ' MET . 0.0 OUTLIER -127.36 126.41 42.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.996 0.427 . . . . 10.0 110.995 179.826 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -125.37 157.26 37.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.597 178.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -116.39 138.18 51.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.784 0.326 . . . . 10.0 110.374 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.7 176.57 40.51 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.953 -0.641 . . . . 10.0 112.326 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.59 116.08 30.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.787 0.327 . . . . 10.0 110.489 -179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HB3' HD21 ' A' ' 18' ' ' LEU . 36.5 tp -135.72 133.02 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 10.0 110.633 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 61.44 31.65 19.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.425 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.35 19.99 79.07 Favored Glycine 0 C--N 1.334 0.446 0 C-N-CA 120.924 -0.655 . . . . 10.0 113.133 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 45' ' ' ARG . 33.1 mtm-85 -136.93 129.79 30.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.752 0.31 . . . . 10.0 110.662 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -89.17 123.28 33.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.114 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.96 167.15 33.2 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.957 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.485 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 57.6 mtt -88.5 147.39 24.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.662 0.268 . . . . 10.0 110.319 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' HG11 ' A' ' 54' ' ' VAL . 3.3 p90 -147.01 148.3 32.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.367 -0.378 . . . . 10.0 111.513 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.532 ' HG2' ' CE2' ' A' ' 53' ' ' PHE . 51.2 Cg_exo -56.83 136.54 77.02 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.976 2.451 . . . . 10.0 112.704 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -66.02 -41.09 91.41 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -68.24 4.84 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.161 0.43 . . . . 10.0 112.161 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.577 ' CE1' ' CE2' ' A' ' 8' ' ' TYR . 9.1 m-30 -113.36 -15.22 12.69 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 10.0 109.977 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.932 HG12 HG12 ' A' ' 6' ' ' VAL . 3.6 m -111.58 146.91 15.91 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 115.757 -0.656 . . . . 10.0 111.362 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.3 124.69 27.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.432 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 9.2 tp10 -43.83 137.6 3.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.016 0.436 . . . . 10.0 111.976 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 3' ' ' ASP . 17.3 tt -75.22 130.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 115.705 -0.68 . . . . 10.0 110.559 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 tttm . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.664 -0.684 . . . . 10.0 111.106 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.54 0.21 . . . . 10.0 110.768 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -111.03 156.95 20.52 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.749 0.309 . . . . 10.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 39.5 pt -139.19 141.87 34.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.605 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.34 113.15 25.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.352 -0.386 . . . . 10.0 111.649 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -94.78 141.4 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.16 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -100.84 126.46 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 10.0 110.477 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.8 p -95.22 170.23 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.282 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.489 ' C ' HD12 ' B' ' 8' ' ' LEU . 3.6 pp -88.54 -7.38 56.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 10.0 111.148 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.407 ' N ' HD12 ' B' ' 8' ' ' LEU . 80.0 m -90.03 -46.33 8.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 10.0 110.262 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.55 ' HA2' ' CG ' ' A' ' 35' ' ' GLU . . . 143.7 15.54 0.26 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.88 -0.676 . . . . 10.0 113.273 179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -108.33 136.38 48.06 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.574 0.583 . . . . 10.0 112.574 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.9 p -102.79 91.64 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 108.532 -0.914 . . . . 10.0 108.532 177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.403 HG12 ' H ' ' B' ' 13' ' ' ILE . 14.0 pt -85.29 112.15 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.973 -0.558 . . . . 10.0 112.161 -177.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 28.2 m -81.85 141.65 33.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.601 -0.727 . . . . 10.0 109.14 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.4 mt -135.01 144.86 47.59 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.208 0.448 . . . . 10.0 112.208 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -81.87 122.47 27.77 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.159 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -155.77 161.68 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.219 -0.446 . . . . 10.0 111.199 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -119.92 161.26 39.18 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.428 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.55 -27.81 85.89 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.56 2.173 . . . . 10.0 112.43 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.3 t -86.34 -7.03 58.79 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.585 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -70.71 146.84 49.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 10.0 110.922 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 76.0 p -91.07 161.35 15.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.058 -0.519 . . . . 10.0 111.151 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.503 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.9 mm -69.92 -34.97 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.377 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.66 -32.22 72.37 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.074 0.464 . . . . 10.0 109.772 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -71.85 -56.54 5.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.522 -0.763 . . . . 10.0 108.982 178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -45.52 -30.88 0.96 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.153 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.902 177.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -71.73 -39.55 70.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.233 -0.439 . . . . 10.0 110.336 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.89 -1.04 29.79 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.423 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -98.88 -22.22 15.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.915 -1.142 . . . . 10.0 107.915 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.673 HD12 ' OE1' ' B' ' 41' ' ' GLN . 43.6 mt -86.93 -32.94 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 114.734 -1.121 . . . . 10.0 109.765 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.426 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 8.7 tt0 -80.29 -4.28 52.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.124 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -107.51 -12.82 15.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.998 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -117.49 -30.33 5.56 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.061 -0.518 . . . . 10.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -119.06 -12.82 9.45 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.282 -0.417 . . . . 10.0 111.823 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.03 34.07 80.68 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.797 -0.716 . . . . 10.0 113.402 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.4 mt -99.45 119.75 59.47 Favored Pre-proline 0 CA--C 1.531 0.249 0 CA-C-N 116.762 0.281 . . . . 10.0 110.679 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 51.2 Cg_exo -53.26 133.49 52.93 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.754 2.303 . . . . 10.0 112.743 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 34.2 Cg_exo -60.31 -38.39 75.55 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.813 2.342 . . . . 10.0 112.118 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -64.56 -21.1 66.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -112.34 19.67 17.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.612 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.673 ' OE1' HD12 ' B' ' 30' ' ' ILE . 8.6 tt0 -115.58 99.38 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.436 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.454 ' HB2' HG23 ' B' ' 70' ' ' VAL . 52.3 mtm180 -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.375 179.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.493 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 9.6 mp -111.42 120.6 42.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.357 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.652 ' C ' HD13 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -125.29 127.8 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 10.0 110.673 179.597 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.464 ' N ' HD13 ' B' ' 44' ' ' ILE . 40.2 t80 -135.34 135.19 40.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.642 -179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.19 16.94 10.39 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.87 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' CA ' HD11 ' B' ' 44' ' ' ILE . . . 90.98 5.5 67.99 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.202 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -128.47 128.04 43.63 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.956 0.408 . . . . 10.0 111.519 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.457 ' NE2' ' N ' ' B' ' 43' ' ' LEU . 45.0 tp60 -63.48 130.71 45.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.706 -0.679 . . . . 10.0 111.328 179.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 69.2 mt -76.86 127.0 31.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.486 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -85.54 131.29 34.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.71 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.503 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.4 p-10 -59.08 -10.33 2.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.079 0.466 . . . . 10.0 110.359 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.19 11.92 60.28 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.513 -0.767 . . . . 10.0 113.557 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.435 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -117.92 -172.48 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.998 0.428 . . . . 10.0 111.099 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.472 ' C ' ' H ' ' B' ' 57' ' ' SER . 52.5 p -132.17 159.03 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.817 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.4 8.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.746 0.308 . . . . 10.0 111.762 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.472 ' H ' ' C ' ' B' ' 55' ' ' THR . 47.1 t -103.54 -28.23 11.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.375 -0.972 . . . . 10.0 108.375 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -65.42 -41.28 93.73 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 114.976 -1.011 . . . . 10.0 110.21 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -96.58 20.89 10.03 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.546 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.0 p30 42.74 40.93 2.25 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.912 -0.586 . . . . 10.0 111.659 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 36.4 mm -80.63 103.76 8.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.149 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -90.17 -177.39 5.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.01 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -67.0 159.38 28.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.721 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 59.74 26.67 15.82 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.451 -0.795 . . . . 10.0 111.576 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 61.5 m -91.61 146.73 23.54 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.515 -0.311 . . . . 10.0 110.702 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.8 t -104.82 111.52 24.29 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 113.364 0.876 . . . . 10.0 113.364 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.2 mp -94.85 149.8 20.86 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 115.759 -0.655 . . . . 10.0 109.775 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.456 ' HB3' HG23 ' B' ' 44' ' ' ILE . 1.1 t60 -106.82 125.58 51.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.784 0.326 . . . . 10.0 110.576 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.429 HD23 ' N ' ' B' ' 70' ' ' VAL . 3.1 tt -105.83 115.8 30.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.062 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' B' ' 42' ' ' ARG . 29.0 m -121.39 165.27 17.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.461 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.23 132.29 40.36 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.69 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.414 ' HA ' ' NE ' ' B' ' 42' ' ' ARG . 32.2 ptt180 -53.12 -45.5 68.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.222 -0.444 . . . . 10.0 111.2 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 66.7 tp -72.84 -66.76 0.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 7.0 tpm_? 55.76 91.02 0.03 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.154 -0.475 . . . . 10.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.66 110.52 2.84 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.051 -0.595 . . . . 10.0 112.591 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.453 -1.193 . . . . 10.0 112.549 -179.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.702 0.287 . . . . 10.0 110.962 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -84.46 137.57 33.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.493 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 14.4 m-30 -113.67 167.61 10.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.992 0.425 . . . . 10.0 111.13 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.548 HG12 HG22 ' A' ' 25' ' ' ILE . 39.7 mt -117.35 118.08 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.766 -0.828 . . . . 10.0 108.766 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.725 HG11 HD12 ' A' ' 20' ' ' ILE . 21.3 t -98.75 105.81 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.572 0 N-CA-C 112.273 0.472 . . . . 10.0 112.273 -178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 54.1 tp10 -102.8 95.35 6.12 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.042 -1.063 . . . . 10.0 108.369 176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -178.72 177.09 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.507 -1.224 . . . . 10.0 109.496 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.38 106.48 14.05 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 10.0 109.024 176.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 50' ' ' PRO . 64.9 t80 -141.41 133.94 28.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.994 0.426 . . . . 10.0 111.667 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -118.74 135.29 54.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.711 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.846 ' H ' HG22 ' A' ' 19' ' ' THR . . . -58.53 123.27 15.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.225 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.7 t -86.36 -27.95 6.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.332 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -122.01 172.92 7.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.42 179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -67.33 -38.37 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -80.16 3.24 21.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.956 -0.565 . . . . 10.0 111.104 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -97.65 146.64 25.12 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.771 -0.455 . . . . 10.0 109.771 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 HD21 ' HB3' ' A' ' 42' ' ' LEU . 16.4 tp -106.52 138.93 41.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.758 -178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.846 HG22 ' H ' ' A' ' 12' ' ' ALA . 30.3 p -86.53 113.9 22.82 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.092 -0.707 . . . . 10.0 109.092 179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.725 HD12 HG11 ' A' ' 6' ' ' VAL . 15.3 pt -115.28 126.53 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 10.0 111.189 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' HG2' ' N ' ' A' ' 22' ' ' VAL . 35.5 ttp180 -119.87 159.7 24.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.531 -0.759 . . . . 10.0 110.631 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.568 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 6.0 m -46.31 124.66 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.92 -0.582 . . . . 10.0 112.271 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 -19.02 35.01 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 121.069 -0.586 . . . . 10.0 113.525 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -68.63 114.35 6.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 10.0 110.595 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.548 HG22 HG12 ' A' ' 5' ' ' ILE . 23.4 pt -89.1 133.96 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.691 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.656 ' CD1' HD22 ' A' ' 42' ' ' LEU . 3.5 mm -99.72 122.62 51.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.089 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -75.53 147.41 39.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.069 0.462 . . . . 10.0 111.727 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.5 m120 42.32 62.04 1.81 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.534 -0.757 . . . . 10.0 112.697 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.52 HG12 HD22 ' A' ' 38' ' ' LEU . 3.1 t -84.67 127.19 40.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.011 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.14 140.66 46.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.956 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HA ' HD23 ' A' ' 38' ' ' LEU . 64.1 mmtt -59.45 133.37 56.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 10.0 111.123 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 36.3 tp -94.95 167.67 11.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.815 -0.629 . . . . 10.0 110.181 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 1.7 mp0 -72.0 -7.46 48.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.459 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 48.4 mt-10 -97.32 127.42 43.26 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.152 0.501 . . . . 10.0 110.586 179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.625 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 29.4 tt0 -59.54 120.11 8.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.428 -0.806 . . . . 10.0 112.16 -179.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.426 ' HA3' ' CE ' ' B' ' 6' ' ' LYS . . . 82.97 17.91 66.4 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.937 -0.649 . . . . 10.0 112.93 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 95.3 m95 -128.98 125.89 38.39 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.285 0.564 . . . . 10.0 111.18 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.603 HD23 ' HA ' ' A' ' 31' ' ' LYS . 7.3 mt -116.38 151.49 35.85 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.33 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 14.5 tp10 -115.48 138.1 51.37 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.712 -0.477 . . . . 10.0 109.712 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.3 -178.45 38.47 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.47 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -114.17 115.94 28.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.36 . . . . 10.0 111.17 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.656 HD22 ' CD1' ' A' ' 26' ' ' ILE . 29.9 tp -132.32 129.52 39.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.035 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.493 HD22 HH21 ' A' ' 45' ' ' ARG . 41.7 m-20 60.94 29.53 19.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.277 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.22 21.95 78.32 Favored Glycine 0 C--N 1.334 0.419 0 C-N-CA 121.047 -0.597 . . . . 10.0 112.887 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.493 HH21 HD22 ' A' ' 43' ' ' ASN . 38.0 mtm105 -129.27 129.92 45.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.329 . . . . 10.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -90.58 113.7 25.77 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.658 -0.497 . . . . 10.0 109.658 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.52 162.89 29.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.173 -1.013 . . . . 10.0 113.393 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.454 ' N ' ' SD ' ' A' ' 48' ' ' MET . 1.8 mpt? -90.18 150.06 22.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.616 -0.292 . . . . 10.0 110.423 179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.637 ' HB2' HD13 ' A' ' 20' ' ' ILE . 12.9 p90 -152.13 153.23 30.91 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.949 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HB3' ' CE1' ' B' ' 68' ' ' HIS . 52.9 Cg_exo -54.82 138.4 76.88 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.654 2.236 . . . . 10.0 112.391 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.456 ' HA ' HG12 ' A' ' 54' ' ' VAL . 17.1 m-20 -79.29 -14.38 59.05 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -179.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -84.47 7.6 19.23 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.993 0.368 . . . . 10.0 111.993 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.571 ' O ' HG13 ' A' ' 6' ' ' VAL . 21.3 m-85 -121.29 -17.76 7.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.933 0.396 . . . . 10.0 110.312 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.504 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 4.4 p -102.88 144.24 14.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.72 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -130.81 117.05 18.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.81 -0.632 . . . . 10.0 110.3 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.47 ' CD ' ' H ' ' A' ' 56' ' ' GLU . 1.1 mp0 -44.24 138.93 2.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.591 -179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.704 HD13 ' N ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -74.57 127.26 36.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.123 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.704 ' N ' HD13 ' A' ' 57' ' ' ILE . 2.2 tpmt? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.165 -0.921 . . . . 10.0 110.694 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.503 0.192 . . . . 10.0 111.08 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -110.27 157.72 19.16 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-O 120.685 0.278 . . . . 10.0 110.468 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' B' ' 14' ' ' THR . 33.9 pt -140.96 144.16 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.393 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -104.32 112.63 25.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.896 0.379 . . . . 10.0 111.866 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -92.76 144.71 8.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.486 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.426 ' CE ' ' HA3' ' A' ' 36' ' ' GLY . 54.8 mtpt -98.72 123.56 43.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.516 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 54.2 m -103.48 130.22 50.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.145 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.9 mt -37.78 -52.72 1.29 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.49 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 69.2 m -47.53 -63.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.655 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.625 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 152.16 26.38 0.04 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.526 -0.845 . . . . 10.0 113.348 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -116.51 124.87 50.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 112.127 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.6 p -87.37 87.81 7.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.701 -0.681 . . . . 10.0 109.171 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.421 HG13 ' O ' ' B' ' 13' ' ' ILE . 13.2 pt -81.78 106.8 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.509 0 CA-C-N 115.683 -0.689 . . . . 10.0 111.498 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.7 t -80.73 152.34 28.41 Favored 'General case' 0 N--CA 1.442 -0.836 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.2 mt -148.1 147.53 29.62 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.016 0.436 . . . . 10.0 112.151 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -75.88 133.15 40.64 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.299 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.484 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.8 p -164.31 160.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 10.0 111.18 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.484 ' N ' HG22 ' B' ' 17' ' ' VAL . 11.2 pt-20 -122.25 159.15 53.43 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.493 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.01 -23.73 70.01 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.683 2.255 . . . . 10.0 112.899 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 40.1 m -91.16 -9.37 45.72 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.466 -0.334 . . . . 10.0 111.585 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -68.95 146.98 52.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.784 0.326 . . . . 10.0 110.967 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.0 p -91.31 165.15 13.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.171 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.471 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 32.5 mm -72.53 -34.65 48.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.251 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -60.78 -32.05 71.39 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -72.49 -58.67 3.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.464 -0.789 . . . . 10.0 108.915 178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -44.21 -32.29 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.144 0 CA-C-N 115.67 -0.696 . . . . 10.0 111.112 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -66.02 -46.78 76.68 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.958 0.409 . . . . 10.0 109.983 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -58.33 -52.54 65.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.666 -0.697 . . . . 10.0 109.958 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -49.33 -30.05 6.98 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.232 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.658 HD12 ' OE1' ' B' ' 41' ' ' GLN . 34.4 mt -79.22 -38.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.429 . . . . 10.0 110.4 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.457 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 16.9 pt20 -80.31 -0.99 39.07 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.874 0.369 . . . . 10.0 110.381 178.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -105.57 -11.12 16.49 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.994 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -123.4 -27.62 4.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.287 -0.415 . . . . 10.0 110.972 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -118.04 -13.23 10.0 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.613 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.34 35.3 90.04 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.809 -0.71 . . . . 10.0 113.235 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 70.3 mt -101.52 117.15 62.53 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-N 116.562 0.181 . . . . 10.0 110.782 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.17 139.27 35.5 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.568 2.179 . . . . 10.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.71 -37.12 22.18 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.619 2.213 . . . . 10.0 112.241 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -68.92 -11.56 60.75 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.671 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -118.14 19.64 13.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.734 -0.666 . . . . 10.0 110.137 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.658 ' OE1' HD12 ' B' ' 30' ' ' ILE . 7.3 tt0 -118.04 103.56 10.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.207 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -100.87 121.23 41.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.066 -0.515 . . . . 10.0 109.852 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.426 ' CD1' ' HG2' ' B' ' 41' ' ' GLN . 8.4 mp -111.0 116.12 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.485 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -117.29 127.41 74.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.522 ' HB3' HD11 ' B' ' 50' ' ' LEU . 86.2 t80 -132.99 132.44 41.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.74 179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.69 29.47 17.36 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.574 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.52 32.0 62.46 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.592 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -148.33 115.4 6.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.722 0.296 . . . . 10.0 110.698 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -57.0 131.15 48.98 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.112 0.482 . . . . 10.0 111.528 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.522 HD11 ' HB3' ' B' ' 45' ' ' PHE . 3.1 mp -80.58 122.43 27.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.272 179.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.548 ' C ' ' H ' ' B' ' 53' ' ' GLY . 8.4 mm-40 -81.12 129.38 34.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.793 -0.639 . . . . 10.0 110.808 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.471 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.1 p30 -58.34 -5.28 0.48 Allowed 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 108.909 -0.774 . . . . 10.0 108.909 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.39 11.51 58.27 Favored Glycine 0 N--CA 1.431 -1.639 0 CA-C-N 114.585 -1.189 . . . . 10.0 114.364 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -134.35 160.74 37.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 117.246 0.523 . . . . 10.0 111.457 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.471 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 4.9 t -98.15 166.92 11.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.541 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.1 mp -55.7 -46.22 77.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 10.0 109.917 179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.2 t -49.44 -32.2 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.615 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.05 -47.41 85.97 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.076 0.465 . . . . 10.0 110.09 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -94.03 23.59 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.524 -0.762 . . . . 10.0 110.631 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.2 p30 41.05 37.51 0.57 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.828 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.7 mt -78.15 106.25 8.45 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.472 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.75 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.89 155.06 41.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.051 0.453 . . . . 10.0 111.555 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 68.81 23.87 6.75 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.757 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 78.5 p -91.69 147.8 22.73 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 66' ' ' THR . 6.6 t -106.48 109.78 21.79 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 113.533 0.938 . . . . 10.0 113.533 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.534 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -89.73 157.77 17.83 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.087 177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.462 ' CE1' ' HB3' ' A' ' 50' ' ' PRO . 40.5 m-70 -113.9 119.66 38.03 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.732 0.301 . . . . 10.0 110.693 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 tt -102.07 115.21 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.362 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.463 HG13 ' O ' ' B' ' 70' ' ' VAL . 5.8 p -128.05 101.99 7.95 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.104 0 CA-C-O 121.149 0.5 . . . . 10.0 111.809 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.85 -64.04 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.891 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -142.93 -0.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.56 -0.745 . . . . 10.0 110.325 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.403 HD13 ' C ' ' B' ' 73' ' ' LEU . 0.7 OUTLIER 63.41 92.85 0.06 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.31 -179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -77.9 155.72 30.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.883 -0.599 . . . . 10.0 111.046 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.21 6.82 33.63 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.262 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.383 -1.232 . . . . 10.0 112.183 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 121.048 0.451 . . . . 10.0 111.121 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -151.54 126.19 9.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.413 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 56' ' ' GLU . 15.8 m-30 -109.27 167.64 9.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.063 0.458 . . . . 10.0 111.117 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.8 tt -121.91 118.75 56.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.442 -0.799 . . . . 10.0 109.152 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER -94.84 107.04 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 112.685 0.624 . . . . 10.0 112.685 -177.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.523 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 17.4 mm-40 -97.37 97.38 9.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 119.175 -1.01 . . . . 10.0 109.121 177.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -178.03 -177.87 0.64 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.749 -1.114 . . . . 10.0 109.214 178.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -124.07 29.2 6.51 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.868 0.366 . . . . 10.0 110.869 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.438 ' HB3' HG13 ' A' ' 20' ' ' ILE . 14.4 t80 -59.6 137.29 58.07 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.318 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.472 ' HA ' HG23 ' A' ' 19' ' ' THR . 9.7 m-20 -118.32 135.15 54.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.621 -0.718 . . . . 10.0 110.389 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.52 119.61 5.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.9 t -90.04 -17.66 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 10.0 109.946 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.447 ' HB2' HH12 ' B' ' 42' ' ' ARG . 9.3 t-80 -132.78 170.95 14.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.448 -0.796 . . . . 10.0 110.291 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -69.17 -39.6 78.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 10.0 111.146 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.32 1.04 19.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.257 -0.428 . . . . 10.0 111.356 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -103.12 136.17 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.333 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.578 HD13 ' N ' ' A' ' 19' ' ' THR . 3.3 tm? -93.57 144.12 25.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.455 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.578 ' N ' HD13 ' A' ' 18' ' ' LEU . 54.4 m -89.21 114.64 25.99 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 109.347 -0.612 . . . . 10.0 109.347 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.475 HD13 ' HB2' ' A' ' 49' ' ' PHE . 28.6 pt -109.47 123.25 65.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.149 0.5 . . . . 10.0 111.461 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -119.07 154.74 32.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.63 -0.714 . . . . 10.0 109.819 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.523 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 10.7 m -49.23 123.25 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.999 0.428 . . . . 10.0 112.057 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.81 -19.51 54.33 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 115.621 -0.718 . . . . 10.0 113.4 178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.519 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.4 mt-10 -68.24 140.34 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.865 0.364 . . . . 10.0 110.674 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.0 pt -111.25 127.62 68.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.785 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.538 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -94.08 114.98 31.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.015 -0.539 . . . . 10.0 110.354 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.524 HH22 ' H ' ' A' ' 44' ' ' GLY . 40.0 mtm180 -69.48 145.99 52.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 10.0 111.427 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.7 t30 39.31 69.18 0.3 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.677 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.561 HG21 ' CD1' ' A' ' 4' ' ' TYR . 27.2 m -76.19 128.53 37.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.295 178.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.2 ttpt -131.66 119.48 21.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.507 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -62.12 131.07 48.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.186 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 35.1 tp -88.25 166.37 14.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.465 -179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 10.6 mm100 -72.15 -3.19 21.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -102.31 133.32 47.41 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.64 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.578 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 22.6 tt0 -67.08 121.41 15.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.805 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.468 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 90.55 8.58 65.67 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.873 -0.68 . . . . 10.0 112.405 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CZ2' HG13 ' B' ' 70' ' ' VAL . 10.7 m95 -119.27 125.12 48.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 10.0 110.604 179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -129.15 147.7 51.02 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.834 -1.173 . . . . 10.0 107.834 178.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.36 138.68 50.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.855 0.36 . . . . 10.0 110.708 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -165.42 173.13 41.14 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.843 -0.694 . . . . 10.0 112.266 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 5.0 mp0 -108.91 115.71 30.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.942 0.401 . . . . 10.0 109.965 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -137.89 136.42 37.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.846 -0.616 . . . . 10.0 110.218 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 61.81 29.39 17.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.751 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.524 ' H ' HH22 ' A' ' 27' ' ' ARG . . . 74.28 15.29 80.2 Favored Glycine 0 C--N 1.334 0.456 0 C-N-CA 121.078 -0.582 . . . . 10.0 113.802 179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -139.62 131.49 27.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.867 0.365 . . . . 10.0 110.614 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -87.32 131.73 34.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.38 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.42 166.56 35.36 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.805 -0.712 . . . . 10.0 112.449 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.509 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 5.3 mpp? -89.53 147.99 23.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.804 0.335 . . . . 10.0 110.494 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.475 ' HB2' HD13 ' A' ' 20' ' ' ILE . 19.2 p90 -146.88 150.4 39.03 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.934 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 50.7 Cg_exo -54.81 129.82 37.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.694 2.262 . . . . 10.0 112.543 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.505 ' HA ' HG12 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -69.46 -20.81 63.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.888 -179.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.574 ' H ' HD22 ' A' ' 52' ' ' ASN . 0.1 OUTLIER -82.66 4.24 25.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.559 -0.291 . . . . 10.0 111.647 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.443 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 22.5 m-30 -118.48 -5.26 10.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.976 0.417 . . . . 10.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 7.6 p -110.55 142.52 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.513 -0.767 . . . . 10.0 110.889 179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -127.25 113.75 16.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.75 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 4' ' ' TYR . 26.7 tt0 -53.29 136.59 36.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.039 0.447 . . . . 10.0 112.152 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 86.4 mt -85.23 129.94 36.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.966 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.1 tttp . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.335 -0.841 . . . . 10.0 110.811 -179.213 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.401 ' HB2' ' HB3' ' B' ' 63' ' ' LYS . 26.3 ptt? . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.532 0.206 . . . . 10.0 110.908 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.32 157.79 21.38 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.739 0.304 . . . . 10.0 110.317 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' B' ' 14' ' ' THR . 36.6 pt -140.87 145.53 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.414 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.423 ' O ' ' HA ' ' B' ' 66' ' ' THR . 52.9 m-85 -105.09 112.6 25.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 10.0 111.612 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -95.09 139.64 18.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.702 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -94.19 123.17 37.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.708 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 35.3 m -101.84 127.34 48.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.943 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.571 HD23 ' H ' ' B' ' 8' ' ' LEU . 1.5 pt? -38.98 -44.42 1.08 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.189 -0.459 . . . . 10.0 112.095 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 63.2 p -55.66 -57.38 12.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.687 0.279 . . . . 10.0 110.834 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.578 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 151.07 18.59 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.645 -0.788 . . . . 10.0 113.402 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -109.09 135.16 50.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.113 0.483 . . . . 10.0 112.106 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 53.2 p -100.09 84.91 2.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.218 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.412 HG13 ' O ' ' B' ' 13' ' ' ILE . 19.9 pt -79.06 113.75 18.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.627 . . . . 10.0 111.73 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 7.2 t -92.11 125.16 36.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.175 178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.498 ' N ' HD12 ' B' ' 15' ' ' LEU . 5.6 mp -120.23 148.19 43.99 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 112.755 0.65 . . . . 10.0 112.755 -178.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -75.49 132.76 40.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.445 -0.798 . . . . 10.0 110.175 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.442 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.0 p -162.56 158.35 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 10.0 111.307 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.442 ' N ' HG22 ' B' ' 17' ' ' VAL . 8.2 mp0 -117.85 159.67 41.7 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.894 -0.593 . . . . 10.0 110.406 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -61.14 -22.52 74.9 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.584 2.189 . . . . 10.0 112.505 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -91.19 -9.51 45.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.213 -0.449 . . . . 10.0 111.566 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.24 149.19 48.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.763 0.316 . . . . 10.0 111.028 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.484 HG22 HG22 ' B' ' 55' ' ' THR . 35.2 p -93.29 161.86 14.23 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.211 -0.449 . . . . 10.0 111.219 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.427 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.0 mm -68.05 -36.32 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 10.0 110.038 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -58.49 -37.13 74.9 Favored 'General case' 0 C--N 1.334 -0.087 0 CA-C-N 116.022 -0.536 . . . . 10.0 109.656 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.4 HD22 ' H ' ' B' ' 22' ' ' THR . 83.6 m-20 -68.49 -56.33 8.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.427 -0.806 . . . . 10.0 109.08 178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 83.8 t -46.55 -33.12 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.131 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -66.31 -44.05 84.52 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.92 0.39 . . . . 10.0 110.348 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.9 -51.68 68.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.884 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -49.08 -32.75 10.27 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.763 -0.653 . . . . 10.0 111.332 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.1 mt -76.15 -40.27 36.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.273 -0.421 . . . . 10.0 109.994 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -76.41 -5.15 46.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.366 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -102.5 -16.16 16.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.383 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -126.37 -6.02 6.51 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.566 -0.288 . . . . 10.0 111.537 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -133.29 -17.46 2.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.482 -0.326 . . . . 10.0 110.986 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.04 35.74 89.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 10.0 112.952 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HB ' HE21 ' B' ' 41' ' ' GLN . 43.2 mm -104.01 122.41 44.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.97 136.89 77.08 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.44 2.093 . . . . 10.0 112.474 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.89 -35.26 56.73 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.718 2.279 . . . . 10.0 112.137 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -68.0 -15.16 63.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.356 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -115.13 22.1 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.493 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.434 HE21 ' HB ' ' B' ' 36' ' ' ILE . 38.1 mt-30 -115.68 103.25 10.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.548 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.447 HH12 ' HB2' ' A' ' 14' ' ' HIS . 64.1 mtm180 -100.24 115.71 30.53 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.434 ' N ' HD12 ' B' ' 43' ' ' LEU . 7.5 mp -108.21 114.64 28.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.401 -178.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.425 HG23 HE21 ' B' ' 49' ' ' GLN . 40.2 mt -116.77 126.81 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.786 0.327 . . . . 10.0 111.147 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -133.99 131.45 38.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.029 -0.532 . . . . 10.0 110.934 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.434 ' HA ' ' CE1' ' A' ' 8' ' ' TYR . . . 62.55 20.7 12.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.774 -0.648 . . . . 10.0 111.916 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' B' ' 48' ' ' LYS . . . 85.15 17.45 62.78 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.814 -0.707 . . . . 10.0 113.183 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' B' ' 47' ' ' GLY . 2.3 mptp? -140.25 124.29 17.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.945 0.402 . . . . 10.0 111.42 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.425 HE21 HG23 ' B' ' 44' ' ' ILE . 1.7 mp0 -55.52 141.01 38.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.721 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.9 mt -89.62 121.56 31.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.449 -0.796 . . . . 10.0 110.06 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' B' ' 53' ' ' GLY . 37.9 mt-10 -79.75 122.9 27.16 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.453 -179.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.427 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.2 p-10 -45.82 -24.52 0.39 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.523 0.678 . . . . 10.0 109.407 178.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -68.8 -70.15 1.22 Allowed Glycine 0 N--CA 1.434 -1.496 0 CA-C-N 114.585 -1.189 . . . . 10.0 112.488 179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -53.65 165.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.484 HG22 HG22 ' B' ' 22' ' ' THR . 41.8 p -106.94 171.79 7.17 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 114.285 -1.325 . . . . 10.0 109.843 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.88 -48.77 74.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 110.494 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.6 p -48.7 -30.92 6.07 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.548 -0.751 . . . . 10.0 111.817 179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -62.09 -41.85 98.61 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.946 0.403 . . . . 10.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.41 ' HB2' HG13 ' B' ' 61' ' ' ILE . 51.1 m-85 -101.02 25.84 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.703 -0.68 . . . . 10.0 110.511 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p30 41.29 36.92 0.55 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.662 -0.699 . . . . 10.0 112.106 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.41 HG13 ' HB2' ' B' ' 59' ' ' TYR . 85.0 mt -76.98 103.62 4.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.838 0.351 . . . . 10.0 111.302 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -92.42 -178.76 5.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.04 -0.527 . . . . 10.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.401 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 7.2 ptpp? -63.28 158.26 20.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.706 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 61.54 26.27 16.03 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.569 -0.741 . . . . 10.0 111.401 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.4 p -89.81 143.99 26.34 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.485 -0.325 . . . . 10.0 110.447 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 35.7 m -105.99 108.7 20.35 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 112.461 0.541 . . . . 10.0 112.461 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 39.7 mt -88.62 162.25 16.44 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.132 178.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -117.47 118.79 33.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.509 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.504 ' C ' HD13 ' B' ' 69' ' ' LEU . 2.8 tm? -101.2 114.23 28.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.869 0.366 . . . . 10.0 110.692 -179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.447 HG13 ' CZ2' ' A' ' 37' ' ' TRP . 5.7 t -107.76 151.33 9.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 60.7 tp -93.78 -82.14 0.36 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.011 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 73' ' ' LEU . 2.9 tmm_? -168.81 -63.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.385 -0.371 . . . . 10.0 110.669 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 72' ' ' ARG . 24.9 tp -167.3 129.3 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.759 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -163.13 152.06 14.58 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.235 -0.439 . . . . 10.0 110.936 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.38 -67.57 1.77 Allowed Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.885 -0.674 . . . . 10.0 112.328 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.372 -1.238 . . . . 10.0 112.559 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 121.015 0.436 . . . . 10.0 111.061 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -125.44 132.4 52.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.005 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.699 ' HB2' HG21 ' A' ' 29' ' ' VAL . 2.8 m-30 -108.1 160.09 16.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.782 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.577 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.11 117.02 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 107.969 -1.122 . . . . 10.0 107.969 178.344 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.695 ' HB ' HG12 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -102.86 110.62 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 N-CA-C 113.122 0.786 . . . . 10.0 113.122 -177.072 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 45.7 mt-10 -99.42 95.97 7.38 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 107.379 -1.341 . . . . 10.0 107.379 175.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.611 ' CE2' ' CZ ' ' A' ' 53' ' ' PHE . 34.9 t80 -176.54 167.72 2.7 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.511 -1.222 . . . . 10.0 109.261 179.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.46 ' N ' ' CD2' ' A' ' 8' ' ' TYR . 16.4 t70 -108.9 106.52 16.54 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.63 -0.508 . . . . 10.0 109.63 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -136.79 125.87 24.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.919 0.39 . . . . 10.0 110.863 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -110.99 132.68 54.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.576 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' H ' ' HB ' ' A' ' 19' ' ' THR . . . -56.7 119.51 6.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.158 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.3 -15.9 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.773 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB3' ' HG2' ' A' ' 17' ' ' GLU . 35.8 t60 -131.99 169.87 15.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.005 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -70.48 -45.01 66.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 10.0 110.764 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -76.09 -1.32 25.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.246 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.451 ' HG2' ' HB3' ' A' ' 14' ' ' HIS . 75.3 mm-40 -97.21 142.62 28.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.884 0.373 . . . . 10.0 110.54 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 42' ' ' LEU . 16.6 tp -106.2 141.4 37.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.352 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.515 ' HB ' ' H ' ' A' ' 12' ' ' ALA . 5.0 t -90.47 115.58 27.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.008 0.432 . . . . 10.0 110.406 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.706 HG21 HD11 ' A' ' 26' ' ' ILE . 7.0 pt -122.34 131.66 72.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.812 -0.631 . . . . 10.0 111.127 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.502 ' H ' ' HG3' ' A' ' 24' ' ' GLU . 2.1 mpt_? -117.94 160.83 20.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.536 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 40.3 t -49.12 123.94 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 10.0 112.193 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.43 -18.17 55.43 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.85 -0.614 . . . . 10.0 113.403 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' HG3' ' H ' ' A' ' 21' ' ' ARG . 19.2 mm-40 -60.77 145.69 48.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.86 0.362 . . . . 10.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.445 HG23 ' O ' ' A' ' 25' ' ' ILE . 12.7 tt -116.73 120.59 65.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.904 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.706 HD11 HG21 ' A' ' 20' ' ' ILE . 13.5 mt -94.09 124.28 46.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.373 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.2 mtm180 -78.18 149.79 33.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.105 0.479 . . . . 10.0 111.736 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 42.99 59.87 2.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.451 -0.795 . . . . 10.0 112.997 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' A' ' 4' ' ' TYR . 86.2 t -80.99 122.25 35.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.74 0.305 . . . . 10.0 110.41 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -125.0 127.18 46.59 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 10.0 110.5 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HA ' HD22 ' A' ' 38' ' ' LEU . 63.9 mttm -65.68 122.26 16.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.09 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.1 mt -84.33 178.08 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 10.0 111.234 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -73.63 -16.44 61.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.723 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -83.77 126.26 32.74 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.626 -0.716 . . . . 10.0 110.144 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.04 124.38 22.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.904 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 83.98 8.0 84.69 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.962 -0.637 . . . . 10.0 113.407 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -129.52 125.22 35.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.102 0.477 . . . . 10.0 111.137 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.607 HD12 HG21 ' A' ' 54' ' ' VAL . 4.3 mt -122.74 162.03 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.315 -0.857 . . . . 10.0 110.07 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -116.04 139.33 50.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.511 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -166.08 177.77 40.99 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.485 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -111.08 116.44 31.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.796 0.332 . . . . 10.0 110.781 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 43' ' ' ASN . 2.2 tm? -133.28 129.1 37.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.861 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.616 ' N ' HD13 ' A' ' 42' ' ' LEU . 60.4 t30 61.95 31.93 17.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.951 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.01 19.08 79.8 Favored Glycine 0 C--N 1.334 0.417 0 C-N-CA 120.773 -0.727 . . . . 10.0 113.334 179.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -136.28 129.96 32.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.849 0.357 . . . . 10.0 110.717 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -88.67 123.88 33.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.212 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.25 165.9 32.97 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.603 -0.808 . . . . 10.0 112.901 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 2.0 mpt? -85.65 148.16 26.03 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.475 ' CE1' ' HB2' ' A' ' 38' ' ' LEU . 4.2 p90 -147.68 156.08 44.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.955 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' CB ' ' CE1' ' B' ' 68' ' ' HIS . 41.5 Cg_endo -66.7 141.66 60.84 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 10.0 112.394 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.422 ' HA ' HG22 ' A' ' 54' ' ' VAL . 12.7 t70 -73.59 -34.08 64.92 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.07 -0.514 . . . . 10.0 112.294 -179.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -70.29 0.5 6.3 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.611 ' CZ ' ' CE2' ' A' ' 8' ' ' TYR . 12.4 m-30 -110.23 -24.32 10.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.936 0.398 . . . . 10.0 109.961 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.695 HG12 ' HB ' ' A' ' 6' ' ' VAL . 25.4 m -103.17 149.39 7.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.745 -0.661 . . . . 10.0 111.372 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -131.28 106.49 8.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.406 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -50.48 122.83 7.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.865 0.364 . . . . 10.0 111.628 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.43 HG23 ' O ' ' A' ' 57' ' ' ILE . 4.9 tp -122.43 101.09 9.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.388 179.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.9 mttm . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.667 -0.682 . . . . 10.0 111.014 -179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.468 0.175 . . . . 10.0 110.844 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 pm0 -115.15 158.97 21.48 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.658 0.266 . . . . 10.0 110.322 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.469 ' O ' ' HA ' ' B' ' 14' ' ' THR . 42.9 pt -140.02 144.72 27.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.844 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.444 ' HB3' ' CG2' ' B' ' 12' ' ' THR . 30.0 m-85 -99.7 110.11 22.53 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.248 -0.433 . . . . 10.0 111.457 -179.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -100.45 104.39 16.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -65.52 136.87 56.96 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.721 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.3 p -118.35 150.46 39.48 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.1 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -48.2 -54.54 13.13 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.223 -0.444 . . . . 10.0 111.288 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.7 p -46.78 -42.01 16.28 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.843 0.354 . . . . 10.0 110.67 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.38 22.21 2.89 Favored Glycine 0 C--N 1.334 0.436 0 C-N-CA 120.972 -0.632 . . . . 10.0 113.385 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -109.96 109.94 20.71 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 117.062 0.431 . . . . 10.0 111.465 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.444 ' CG2' ' HB3' ' B' ' 4' ' ' PHE . 41.4 m -74.26 93.5 2.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.097 179.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.8 pt -87.52 110.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.676 -0.693 . . . . 10.0 111.724 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 72.4 p -79.8 154.64 28.32 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 178.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' B' ' 29' ' ' LYS . 43.8 tp -149.65 143.53 25.57 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 112.197 0.443 . . . . 10.0 112.197 -178.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -77.68 123.63 26.91 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.585 179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -155.03 157.61 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.76 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.42 ' N ' ' CD ' ' B' ' 18' ' ' GLU . 1.6 pm0 -117.08 159.75 39.9 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.214 179.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -59.03 -27.3 84.63 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.556 2.171 . . . . 10.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.2 p -86.4 -3.82 59.06 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.528 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -73.45 145.78 45.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.458 -0.337 . . . . 10.0 111.11 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.475 ' H ' HD22 ' B' ' 25' ' ' ASN . 26.0 p -90.37 163.8 14.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.166 -0.47 . . . . 10.0 110.72 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 27.1 mm -71.44 -34.94 55.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.447 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -62.03 -31.34 71.73 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.176 0.512 . . . . 10.0 109.624 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.475 HD22 ' H ' ' B' ' 22' ' ' THR . 89.0 m-20 -70.34 -57.11 5.21 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.719 -0.845 . . . . 10.0 108.719 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -46.27 -32.53 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 CA-C-N 115.389 -0.823 . . . . 10.0 111.448 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' HZ3' HH22 ' B' ' 72' ' ' ARG . 55.7 mttt -72.82 -40.62 65.64 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.811 0.339 . . . . 10.0 110.415 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.8 -0.25 20.42 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.673 179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HB2' HD21 ' B' ' 15' ' ' LEU . 98.2 mttt -101.3 -20.75 15.09 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.2 mt -90.1 -32.28 5.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.125 -0.943 . . . . 10.0 109.056 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.432 ' CD ' ' HD3' ' B' ' 38' ' ' PRO . 57.3 tt0 -76.61 -7.61 55.59 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.987 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.97 -13.66 16.25 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.327 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -121.4 -18.57 7.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.577 -0.283 . . . . 10.0 111.287 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -125.28 -20.61 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.95 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.59 27.99 64.23 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.968 -0.634 . . . . 10.0 113.081 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.7 mt -93.27 121.1 66.03 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.607 0.203 . . . . 10.0 110.719 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -57.12 128.6 30.41 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.611 2.207 . . . . 10.0 112.491 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' CD ' ' B' ' 31' ' ' GLN . 50.9 Cg_exo -55.98 -37.62 95.86 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.779 2.319 . . . . 10.0 112.452 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.15 -5.41 13.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.041 -0.527 . . . . 10.0 111.248 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -126.61 20.32 7.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.651 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -115.06 104.94 12.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.914 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -95.34 111.9 23.7 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.2 mt -101.78 103.21 13.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 10.0 111.714 -178.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.684 HG22 ' N ' ' B' ' 45' ' ' PHE . 4.0 mp -83.38 173.52 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.368 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.684 ' N ' HG22 ' B' ' 44' ' ' ILE . 73.8 t80 176.25 116.71 0.02 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.652 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 52.32 28.03 5.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.212 -0.449 . . . . 10.0 111.675 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.47 33.23 44.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.042 -0.599 . . . . 10.0 112.825 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' B' ' 48' ' ' LYS . 3.3 mmmp? -149.74 117.7 6.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.715 0.293 . . . . 10.0 110.67 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -55.6 142.55 33.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.204 -0.453 . . . . 10.0 111.109 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' B' ' 45' ' ' PHE . 2.4 mp -90.59 115.65 27.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.486 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.529 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 26.7 tt0 -75.01 127.79 34.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.424 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.456 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 2.6 m-20 -58.49 -5.81 0.59 Allowed 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 178.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.529 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -102.44 14.34 56.64 Favored Glycine 0 N--CA 1.43 -1.724 0 CA-C-N 114.623 -1.171 . . . . 10.0 114.479 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -134.08 161.13 35.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 117.108 0.454 . . . . 10.0 111.066 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 64.5 p -100.27 167.23 10.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.284 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mp -55.07 -48.02 74.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.014 0.435 . . . . 10.0 109.959 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.8 m -48.65 -31.83 7.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.564 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -56.75 -57.43 12.47 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.992 0.425 . . . . 10.0 110.113 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -86.57 17.01 4.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.58 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 62.1 t30 48.54 46.25 20.95 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.737 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.419 HG12 ' CZ ' ' B' ' 45' ' ' PHE . 33.1 mt -82.48 105.82 12.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -90.39 -175.55 4.51 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.42 157.65 35.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.945 -0.571 . . . . 10.0 111.611 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 61.19 25.47 15.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.441 -0.799 . . . . 10.0 111.623 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 76.7 p -87.16 141.99 28.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.614 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 59.6 p -102.44 106.69 17.48 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.202 0.445 . . . . 10.0 112.202 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.536 ' N ' HD12 ' B' ' 67' ' ' LEU . 5.9 mp -99.12 131.05 45.44 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.377 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.533 ' CE1' ' CB ' ' A' ' 50' ' ' PRO . 62.4 m170 -89.19 136.48 33.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.776 0.322 . . . . 10.0 111.055 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.454 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.9 tt -114.82 122.91 47.81 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.003 -0.544 . . . . 10.0 110.739 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 58.7 t -121.31 147.62 25.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.829 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.0 mt -83.53 167.22 17.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.257 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.409 HH22 ' HZ3' ' B' ' 27' ' ' LYS . 64.8 mtt180 -120.38 72.79 0.96 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.929 -0.578 . . . . 10.0 110.804 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 94.4 mt -143.29 -170.82 3.36 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.849 -0.614 . . . . 10.0 110.715 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 62.0 -83.75 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.0 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -127.37 -159.05 10.0 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.112 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.393 -1.226 . . . . 10.0 112.387 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.67 0.271 . . . . 10.0 111.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.607 ' O ' HG22 ' A' ' 57' ' ' ILE . 30.7 t70 -84.68 152.1 24.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.28 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.76 ' HB2' HG21 ' A' ' 29' ' ' VAL . 8.6 m-85 -136.03 167.13 21.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.411 0.624 . . . . 10.0 111.609 -179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.71 117.5 50.54 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 N-CA-C 107.541 -1.281 . . . . 10.0 107.541 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.676 HG21 HD12 ' A' ' 20' ' ' ILE . 7.7 p -99.92 107.33 20.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 112.76 0.652 . . . . 10.0 112.76 -177.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.603 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.4 tt0 -98.85 98.44 9.52 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 119.396 -0.922 . . . . 10.0 108.991 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.494 ' CG ' ' CD2' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -176.11 170.64 2.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.642 -1.163 . . . . 10.0 109.456 178.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -114.9 23.21 12.78 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.826 0.346 . . . . 10.0 110.91 178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.543 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 15.7 t80 -53.2 130.49 34.7 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.024 0.44 . . . . 10.0 111.213 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -108.12 128.81 55.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.548 -0.751 . . . . 10.0 110.599 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.32 119.46 5.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.934 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG23 ' ND1' ' A' ' 14' ' ' HIS . 3.0 m -102.37 4.33 10.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.734 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.489 ' ND1' HG23 ' A' ' 13' ' ' VAL . 63.2 m80 -153.29 172.85 16.38 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.878 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -70.49 -48.23 56.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.712 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -74.09 0.95 12.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.717 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.1 135.92 42.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.059 -0.519 . . . . 10.0 109.725 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.57 145.89 27.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.795 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.8 m -89.67 114.19 25.78 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 6' ' ' VAL . 10.3 pt -108.74 125.5 65.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.795 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -113.12 149.68 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.551 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.603 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 33.4 m -47.01 124.77 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.965 0.728 . . . . 10.0 112.965 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.24 -12.87 61.29 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.718 -0.674 . . . . 10.0 113.5 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.603 ' HG2' HD11 ' A' ' 42' ' ' LEU . 10.8 tp10 -60.5 151.22 29.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.892 0.377 . . . . 10.0 110.486 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.1 mt -113.96 121.33 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.861 -0.609 . . . . 10.0 110.514 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.466 HG21 ' CE2' ' A' ' 49' ' ' PHE . 20.2 mt -101.5 119.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -76.08 144.64 40.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 10.0 112.008 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 46.6 61.14 2.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.471 -0.786 . . . . 10.0 113.094 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.76 HG21 ' HB2' ' A' ' 4' ' ' TYR . 87.4 t -81.84 121.67 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 110.197 -0.298 . . . . 10.0 110.197 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -127.74 143.95 51.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.849 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -77.01 131.09 38.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.886 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 39' ' ' GLU . 4.0 mm? -92.47 179.69 5.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.182 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -74.05 -13.87 60.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.595 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 37' ' ' TRP . 4.0 mm-40 -93.98 129.58 40.41 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.443 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.62 128.13 34.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.084 -0.507 . . . . 10.0 111.157 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 80.32 12.38 83.19 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.913 -0.66 . . . . 10.0 112.863 178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.479 ' HB2' ' HB2' ' A' ' 34' ' ' GLU . 4.4 m95 -120.39 124.48 45.6 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.836 0.351 . . . . 10.0 110.43 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.535 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 30.0 mt -126.88 151.12 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.06 -0.718 . . . . 10.0 109.06 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.569 ' HB2' ' SD ' ' A' ' 48' ' ' MET . 14.6 tp10 -115.35 138.69 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 -179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.26 178.95 38.71 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.881 -0.676 . . . . 10.0 112.091 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -111.47 115.72 29.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.881 0.372 . . . . 10.0 110.357 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.691 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.3 tt -134.59 129.12 34.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.337 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.691 ' N ' HD23 ' A' ' 42' ' ' LEU . 64.5 t30 61.32 29.58 18.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.109 -0.496 . . . . 10.0 111.59 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.52 -15.2 42.32 Favored Glycine 0 C--N 1.333 0.378 0 C-N-CA 120.707 -0.758 . . . . 10.0 113.414 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 4.8 tpm_? -110.7 130.06 55.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.825 0.345 . . . . 10.0 110.527 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.581 ' HD2' ' H ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -89.3 131.04 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.948 179.525 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -156.44 167.6 33.53 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.411 -0.899 . . . . 10.0 113.246 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 39' ' ' GLU . 24.4 mmt -85.3 146.92 26.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.617 -0.292 . . . . 10.0 110.432 179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.543 ' CD1' HG21 ' A' ' 54' ' ' VAL . 3.4 p90 -147.99 152.68 40.71 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.311 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.632 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 35.1 Cg_exo -59.78 137.8 78.96 Favored 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.774 2.316 . . . . 10.0 112.605 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' C ' ' H ' ' A' ' 53' ' ' PHE . 5.7 p-10 -68.31 -41.34 81.03 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.58 0.585 . . . . 10.0 112.58 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.468 HD21 ' NZ ' ' B' ' 6' ' ' LYS . 63.9 m-20 -70.27 14.22 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.107 0.41 . . . . 10.0 112.107 -178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 2.4 m-85 -118.65 -28.64 5.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.091 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.59 ' HA ' ' HA ' ' A' ' 6' ' ' VAL . 5.7 t -103.19 149.87 7.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.226 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -134.81 131.73 37.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.421 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -49.86 137.72 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.126 -179.339 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.607 HG22 ' O ' ' A' ' 3' ' ' ASP . 17.7 tt -78.02 130.72 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.387 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.339 -0.839 . . . . 10.0 110.665 -179.638 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.7 ptt? . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.544 0.211 . . . . 10.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -115.13 158.02 22.77 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.591 -0.277 . . . . 10.0 110.444 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' B' ' 14' ' ' THR . 41.4 pt -141.93 143.82 26.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.637 179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -102.79 113.25 26.52 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.824 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.9 t -94.03 142.03 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.839 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.468 ' NZ ' HD21 ' A' ' 52' ' ' ASN . 48.1 mttp -95.35 122.17 37.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.367 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' B' ' 8' ' ' LEU . 62.2 m -103.54 129.89 50.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.327 -0.397 . . . . 10.0 110.73 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 82.3 mt -34.79 -64.35 0.26 Allowed 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.893 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.2 m -37.78 -60.8 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 10.0 111.219 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 148.5 22.94 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.426 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -111.47 120.62 42.77 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 112.406 0.521 . . . . 10.0 112.406 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 t -84.58 86.75 7.27 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.671 -0.695 . . . . 10.0 109.579 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.1 mm -82.3 109.21 16.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.5 0 CA-C-N 115.69 -0.686 . . . . 10.0 111.695 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 50.5 m -81.24 151.98 27.86 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 108.574 -0.898 . . . . 10.0 108.574 178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.403 HD11 HD11 ' B' ' 3' ' ' ILE . 4.2 pp -147.72 147.46 29.95 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 112.46 0.541 . . . . 10.0 112.46 -179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -75.22 130.54 39.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.544 -0.753 . . . . 10.0 110.592 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.414 HG22 ' N ' ' B' ' 18' ' ' GLU . 14.1 p -164.24 157.44 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.941 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.414 ' N ' HG22 ' B' ' 17' ' ' VAL . 7.5 mp0 -119.7 161.15 39.3 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.306 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.65 -24.44 75.39 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.572 2.181 . . . . 10.0 112.772 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.8 p -88.35 -10.35 49.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.424 . . . . 10.0 111.684 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -69.33 147.44 51.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.98 0.419 . . . . 10.0 111.183 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -90.74 165.75 13.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.71 -0.677 . . . . 10.0 110.792 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 36.2 mm -72.68 -38.55 58.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.214 -0.448 . . . . 10.0 109.955 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -56.3 -35.93 68.1 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.308 0.575 . . . . 10.0 109.527 178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -68.71 -58.15 4.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.26 -0.882 . . . . 10.0 109.01 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -45.74 -33.03 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.542 178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -66.24 -46.35 77.43 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 120.996 0.427 . . . . 10.0 110.02 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.5 -51.85 67.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.74 -0.664 . . . . 10.0 109.989 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -49.65 -30.34 8.84 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.74 -0.664 . . . . 10.0 111.519 179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.6 mt -81.44 -36.03 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.915 0.388 . . . . 10.0 109.999 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -77.74 -6.02 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.122 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.17 -6.87 17.05 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.894 -0.593 . . . . 10.0 111.2 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -125.69 -21.42 4.45 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.185 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -125.81 -13.99 6.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.203 -0.453 . . . . 10.0 111.092 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.08 34.15 80.65 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.942 -0.647 . . . . 10.0 113.26 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 34.2 mt -99.96 120.97 55.62 Favored Pre-proline 0 C--N 1.331 -0.23 0 N-CA-C 110.423 -0.214 . . . . 10.0 110.423 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.24 135.55 69.45 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.5 2.133 . . . . 10.0 112.395 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -63.58 -36.27 54.48 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.629 2.22 . . . . 10.0 112.134 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -69.24 -4.88 19.61 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.112 -0.494 . . . . 10.0 110.612 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -126.63 19.73 7.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.636 -0.711 . . . . 10.0 109.946 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -114.31 100.76 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.577 -0.738 . . . . 10.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.497 HH22 ' NE2' ' B' ' 49' ' ' GLN . 27.0 mmm180 -97.06 117.53 31.45 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.606 -0.516 . . . . 10.0 109.606 178.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.766 HD12 HD22 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -110.65 118.2 35.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.307 -179.027 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.52 ' N ' HD13 ' B' ' 43' ' ' LEU . 11.0 mm -121.67 128.81 75.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.575 -0.284 . . . . 10.0 110.934 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' B' ' 50' ' ' LEU . 74.2 t80 -134.51 135.03 42.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.906 179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.18 23.73 12.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.902 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.99 35.33 35.18 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.788 -0.72 . . . . 10.0 112.765 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -157.47 120.11 3.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.919 0.39 . . . . 10.0 110.885 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.497 ' NE2' HH22 ' B' ' 42' ' ' ARG . 2.3 pt20 -54.54 141.37 31.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.865 -0.607 . . . . 10.0 112.264 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.766 HD22 HD12 ' B' ' 43' ' ' LEU . 7.3 mp -91.13 119.29 31.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.57 178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.501 ' C ' ' H ' ' B' ' 53' ' ' GLY . 0.5 OUTLIER -79.47 129.47 34.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.845 -0.616 . . . . 10.0 111.314 -178.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.479 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.8 m-20 -57.65 -7.67 0.72 Allowed 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -99.63 11.31 61.17 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 114.755 -1.111 . . . . 10.0 114.332 -179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.518 ' HE ' ' CG ' ' B' ' 58' ' ' ASP . 27.1 mmm180 -134.54 162.18 33.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.162 0.481 . . . . 10.0 111.328 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 46.8 p -100.12 168.51 9.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.867 -0.606 . . . . 10.0 110.595 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 mt -57.62 -45.25 85.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.073 0.463 . . . . 10.0 110.134 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 74.6 p -50.56 -31.68 16.43 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.433 -0.803 . . . . 10.0 111.864 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.518 ' CG ' ' HE ' ' B' ' 54' ' ' ARG . 39.0 t70 -62.84 -41.24 99.26 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.033 0.444 . . . . 10.0 110.504 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -99.7 23.4 9.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 10.0 110.497 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.9 m120 41.93 36.92 0.71 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.395 -0.821 . . . . 10.0 112.24 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 93.9 mt -78.46 105.59 7.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.842 0.353 . . . . 10.0 111.191 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -92.12 -175.06 3.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.255 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -66.8 159.05 28.88 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.864 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 58.41 29.6 18.47 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.5 -0.773 . . . . 10.0 111.423 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -70.59 -159.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.969 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.8 t -160.04 88.17 0.81 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.09 0.471 . . . . 10.0 110.785 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.642 ' HB3' HD11 ' B' ' 43' ' ' LEU . 25.1 mt -79.78 157.51 27.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.008 -0.542 . . . . 10.0 111.23 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -117.24 115.8 26.0 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.889 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 tt -101.37 113.54 26.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.853 0.359 . . . . 10.0 111.013 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.41 ' HA ' HD21 ' B' ' 8' ' ' LEU . 19.2 m -125.05 -172.97 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.801 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.5 ' C ' HD12 ' B' ' 71' ' ' LEU . 3.6 pp -145.55 -171.49 3.69 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.907 0.384 . . . . 10.0 111.41 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -56.09 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.838 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 21.9 tp -126.9 118.39 24.47 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.31 -0.404 . . . . 10.0 111.671 -179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -117.23 -59.26 1.97 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.217 179.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 51.15 49.19 44.5 Favored Glycine 0 C--N 1.333 0.371 0 CA-C-N 115.974 -0.557 . . . . 10.0 112.922 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.264 -1.298 . . . . 10.0 112.664 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.746 0.308 . . . . 10.0 111.138 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.18 150.61 26.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.267 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 5.6 m-85 -120.91 160.52 23.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.371 0.605 . . . . 10.0 112.234 -179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.634 HG23 HG21 ' A' ' 57' ' ' ILE . 3.5 pt -120.04 117.95 55.3 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.578 -1.267 . . . . 10.0 107.578 177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.931 HG12 HG12 ' A' ' 54' ' ' VAL . 4.8 m -99.8 106.12 18.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 112.615 0.598 . . . . 10.0 112.615 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 12.0 mm-40 -103.26 95.63 6.23 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 118.775 -1.17 . . . . 10.0 108.354 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.423 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -179.06 178.81 0.71 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.338 -1.301 . . . . 10.0 109.488 178.811 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 8.2 p-10 -117.25 103.77 10.5 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.458 ' HB3' ' CG1' ' A' ' 20' ' ' ILE . 73.0 t80 -128.54 121.26 28.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.922 0.392 . . . . 10.0 111.498 -178.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -101.19 117.55 35.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.341 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.39 118.67 3.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.837 0.351 . . . . 10.0 110.64 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.445 HG23 ' ND1' ' A' ' 14' ' ' HIS . 6.6 m -88.16 -10.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.049 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.445 ' ND1' HG23 ' A' ' 13' ' ' VAL . 65.0 m80 -148.18 172.44 14.31 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.544 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.82 -43.45 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.64 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.58 -9.48 58.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.56 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.25 138.63 31.37 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.983 -0.553 . . . . 10.0 109.727 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' ' 42' ' ' LEU . 21.9 tp -101.85 134.58 44.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.379 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.562 ' O ' HD23 ' A' ' 42' ' ' LEU . 7.7 t -86.19 114.62 23.17 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.277 -0.638 . . . . 10.0 109.277 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.764 ' HB ' HG21 ' A' ' 6' ' ' VAL . 29.2 pt -110.67 120.41 61.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -115.51 154.14 29.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.604 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.8 t -47.06 123.83 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.84 0.681 . . . . 10.0 112.84 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.32 -17.36 57.48 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.787 -0.642 . . . . 10.0 114.023 178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' O ' HG22 ' A' ' 6' ' ' VAL . 0.2 OUTLIER -71.72 122.2 20.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.974 0.416 . . . . 10.0 111.386 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.463 HG12 HG22 ' A' ' 5' ' ' ILE . 20.5 mt -91.15 127.16 43.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.068 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.692 ' CD1' HD22 ' A' ' 42' ' ' LEU . 3.5 mm -96.44 124.28 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.505 -0.316 . . . . 10.0 110.399 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.505 ' O ' ' C ' ' A' ' 28' ' ' ASN . 6.0 mmp_? -47.98 157.32 0.29 Allowed 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 121.06 -0.256 . . . . 10.0 110.351 179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.505 ' C ' ' O ' ' A' ' 27' ' ' ARG . 19.7 p-10 -20.61 104.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.735 0.647 . . . . 10.0 111.714 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 39' ' ' GLU . 3.0 m -89.43 150.08 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.735 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -127.87 127.93 44.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.967 -0.56 . . . . 10.0 110.395 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -59.37 130.8 48.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.525 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.607 HD11 ' SD ' ' A' ' 48' ' ' MET . 44.6 mt -91.37 172.41 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.671 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.443 ' NE2' ' N ' ' A' ' 33' ' ' GLN . 1.4 mp0 -74.16 -7.25 51.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.367 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' B' ' 8' ' ' LEU . 57.4 mt-10 -100.45 130.33 46.52 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.89 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 19.2 tt0 -63.66 125.36 24.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.518 -0.765 . . . . 10.0 111.428 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 50' ' ' PRO . . . 84.65 8.87 82.29 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.923 -0.656 . . . . 10.0 113.011 178.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.495 ' C ' HD12 ' A' ' 38' ' ' LEU . 1.4 m0 -123.06 124.92 44.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.999 0.428 . . . . 10.0 110.809 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 37' ' ' TRP . 9.1 mp -122.41 155.98 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.565 -0.743 . . . . 10.0 109.262 179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.507 ' HG2' ' SD ' ' A' ' 48' ' ' MET . 3.2 tm-20 -115.97 138.63 51.03 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -164.66 174.64 40.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 121.018 -0.611 . . . . 10.0 111.856 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 27' ' ' ARG . 6.0 mp0 -111.88 116.45 30.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.972 0.415 . . . . 10.0 110.993 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.692 HD22 ' CD1' ' A' ' 26' ' ' ILE . 54.8 tp -134.8 133.39 39.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.022 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.7 m120 62.04 29.46 17.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.613 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 80.69 -5.23 65.64 Favored Glycine 0 C--N 1.336 0.546 0 C-N-CA 121.112 -0.566 . . . . 10.0 113.691 179.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -113.76 130.14 56.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.879 0.339 . . . . 10.0 111.301 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.7 129.74 36.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.17 174.05 36.88 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.181 -1.009 . . . . 10.0 113.443 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.607 ' SD ' HD11 ' A' ' 32' ' ' LEU . 5.9 mmt -92.41 146.88 23.35 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.65 -0.275 . . . . 10.0 110.362 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CD1' HG11 ' A' ' 54' ' ' VAL . 10.8 p90 -148.1 148.29 29.1 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.542 -0.299 . . . . 10.0 111.431 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.493 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 47.4 Cg_exo -57.6 140.57 93.82 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.715 2.277 . . . . 10.0 112.251 179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -71.34 -34.36 70.44 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 112.745 0.646 . . . . 10.0 112.745 -178.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -73.05 8.98 1.33 Allowed 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.486 0.551 . . . . 10.0 112.486 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.493 ' CD2' ' HB2' ' A' ' 50' ' ' PRO . 18.9 m-30 -122.37 -1.82 9.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.0 0.429 . . . . 10.0 110.194 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.931 HG12 HG12 ' A' ' 6' ' ' VAL . 5.1 m -127.17 146.68 32.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.543 -0.753 . . . . 10.0 111.083 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -128.56 125.2 37.78 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.977 -0.556 . . . . 10.0 110.284 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 4' ' ' TYR . 42.0 tt0 -61.19 125.31 23.29 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.041 0.385 . . . . 10.0 112.041 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.634 HG21 HG23 ' A' ' 5' ' ' ILE . 4.8 tp -123.32 109.49 23.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.452 178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.218 -0.896 . . . . 10.0 110.76 179.846 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.519 0.2 . . . . 10.0 110.85 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -108.91 157.52 18.55 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.936 -0.394 . . . . 10.0 109.936 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.506 HD13 HG11 ' B' ' 17' ' ' VAL . 25.7 pt -144.68 139.9 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.891 0.377 . . . . 10.0 111.637 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -81.88 159.7 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.748 -0.834 . . . . 10.0 108.748 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG13 ' B' ' 13' ' ' ILE . 55.4 t -150.62 94.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.12 0.486 . . . . 10.0 111.106 -179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -54.92 124.65 17.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.792 -0.64 . . . . 10.0 112.542 -179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.2 m -107.14 130.32 54.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.441 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 34' ' ' GLU . 96.7 mt -38.87 -50.26 1.7 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.407 -0.361 . . . . 10.0 111.813 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.1 m -50.96 -60.44 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 10.0 110.772 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.463 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 157.51 7.26 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.666 -0.778 . . . . 10.0 113.039 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -86.97 157.86 19.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.887 0.375 . . . . 10.0 111.537 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.3 m -96.64 -38.25 10.02 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.032 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.457 HG13 ' HB ' ' B' ' 5' ' ' VAL . 17.6 pt 38.61 87.61 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 113.355 0.872 . . . . 10.0 113.355 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 3' ' ' ILE . 95.0 m -96.9 113.57 25.12 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.195 178.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.634 ' H ' HD23 ' B' ' 15' ' ' LEU . 2.5 pt? -107.2 158.24 17.26 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 113.865 1.061 . . . . 10.0 113.865 -178.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -78.85 136.09 37.22 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.807 -1.088 . . . . 10.0 110.842 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.506 HG11 HD13 ' B' ' 3' ' ' ILE . 7.9 p -165.2 160.23 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.198 -0.456 . . . . 10.0 111.09 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.433 ' N ' HG22 ' B' ' 17' ' ' VAL . 18.0 mt-10 -118.9 162.7 29.95 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.079 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -62.04 -27.58 79.46 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.494 2.129 . . . . 10.0 112.3 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 77.9 p -85.8 -9.45 57.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.074 -0.512 . . . . 10.0 111.838 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -70.4 149.0 47.73 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.724 0.297 . . . . 10.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 81.8 p -92.16 166.63 12.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.088 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.514 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 49.3 mm -73.63 -34.28 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.25 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -61.64 -33.42 73.9 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -71.57 -55.66 7.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.55 -0.75 . . . . 10.0 109.033 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.455 ' O ' HG12 ' B' ' 30' ' ' ILE . 24.6 t -46.96 -33.15 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.26 -0.882 . . . . 10.0 111.33 178.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -73.54 -32.36 64.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.887 0.375 . . . . 10.0 110.717 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.425 ' HA ' ' HG3' ' B' ' 31' ' ' GLN . . . -82.02 -1.87 49.76 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.93 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -99.3 -20.71 16.41 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 108.621 -0.881 . . . . 10.0 108.621 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 36' ' ' ILE . 20.0 mm -87.21 -34.23 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 CA-C-N 115.049 -0.978 . . . . 10.0 109.112 178.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.425 ' HG3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -77.97 -4.58 47.7 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.084 178.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -107.04 -10.91 15.78 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.642 -0.708 . . . . 10.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -125.76 -12.62 6.54 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.483 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -133.08 -16.42 2.49 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.739 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 36.32 87.0 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 121.029 -0.605 . . . . 10.0 113.527 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.648 HG22 HG22 ' B' ' 30' ' ' ILE . 14.0 tt -102.61 120.22 53.58 Favored Pre-proline 0 C--N 1.332 -0.193 0 CA-C-N 116.745 0.272 . . . . 10.0 110.514 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 58.2 Cg_exo -52.41 132.8 46.27 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.568 2.179 . . . . 10.0 112.611 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 32.8 Cg_exo -60.92 -36.8 81.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.635 2.224 . . . . 10.0 111.993 179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.42 -14.58 61.24 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.067 -0.515 . . . . 10.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.407 ' HA ' ' NH1' ' B' ' 72' ' ' ARG . 80.8 mt-30 -104.4 -28.06 11.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.557 -0.747 . . . . 10.0 110.365 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -69.61 111.3 5.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.285 -0.871 . . . . 10.0 112.985 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.553 ' HE ' HH21 ' B' ' 72' ' ' ARG . 26.6 ttm-85 -110.64 119.1 38.03 Favored 'General case' 0 C--N 1.334 -0.074 0 N-CA-C 108.662 -0.866 . . . . 10.0 108.662 177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 85.3 mt -110.12 126.3 53.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.568 -178.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.43 HD11 ' HG2' ' B' ' 42' ' ' ARG . 4.4 mp -127.21 127.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.694 0.283 . . . . 10.0 110.517 179.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -132.91 133.92 43.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.806 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.05 22.38 11.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.547 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.437 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 82.13 21.98 59.93 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.491 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -141.03 119.18 12.01 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.948 0.404 . . . . 10.0 111.131 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.47 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 22.5 mp0 -57.56 130.97 48.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.846 -0.615 . . . . 10.0 111.537 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.501 ' N ' HD12 ' B' ' 50' ' ' LEU . 5.3 mp -80.07 123.84 28.21 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 116.065 -0.516 . . . . 10.0 109.917 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' B' ' 53' ' ' GLY . 7.2 mm-40 -82.71 130.52 35.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.969 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.514 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.4 p-10 -57.91 -5.39 0.42 Allowed 'General case' 0 CA--C 1.512 -0.497 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.55 ' H ' ' C ' ' B' ' 51' ' ' GLU . . . -101.51 11.53 58.1 Favored Glycine 0 N--CA 1.432 -1.631 0 CA-C-N 114.57 -1.196 . . . . 10.0 114.461 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -123.62 -171.81 2.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.156 0.478 . . . . 10.0 111.371 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.521 ' C ' ' H ' ' B' ' 57' ' ' SER . 25.2 p -129.93 160.18 34.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.768 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.443 ' N ' HD12 ' B' ' 56' ' ' LEU . 7.2 mp -67.11 12.58 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 10.0 111.395 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.521 ' H ' ' C ' ' B' ' 55' ' ' THR . 81.3 p -108.31 -27.9 9.73 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 179.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -67.09 -36.84 82.86 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.15 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -100.28 20.08 15.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.428 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 67.4 t30 43.1 41.19 2.66 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.696 -0.684 . . . . 10.0 111.777 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 60.7 mt -81.31 104.89 10.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-O 120.781 0.324 . . . . 10.0 111.451 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -91.05 -177.14 4.83 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.197 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' B' ' 64' ' ' GLU . 53.0 tttm -66.77 159.79 27.22 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.931 -0.577 . . . . 10.0 111.67 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.431 ' N ' ' HG2' ' B' ' 63' ' ' LYS . 41.9 mt-10 58.67 28.42 17.18 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.53 -0.759 . . . . 10.0 111.381 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.7 t -96.3 147.5 23.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 10.0 111.355 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -87.2 155.21 20.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.841 -0.618 . . . . 10.0 110.237 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' B' ' 3' ' ' ILE . 97.1 mt -148.41 113.01 5.35 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.855 -0.424 . . . . 10.0 109.855 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -77.09 124.22 27.5 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.289 0.477 . . . . 10.0 112.289 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.7 tp -108.87 116.05 31.24 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.927 -0.579 . . . . 10.0 109.554 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 12.5 m -125.12 173.95 10.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.968 0.413 . . . . 10.0 111.891 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.449 ' HG ' ' H ' ' B' ' 72' ' ' ARG . 15.5 tp -116.47 -132.61 0.33 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.034 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.553 HH21 ' HE ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -91.98 -57.87 2.59 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.627 0.251 . . . . 10.0 110.931 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.637 ' C ' HD22 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -162.75 4.45 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.621 -0.263 . . . . 10.0 111.492 179.696 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -48.42 135.82 13.5 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.113 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.12 25.07 29.08 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 121.096 -0.573 . . . . 10.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.464 -1.186 . . . . 10.0 112.416 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.878 0.371 . . . . 10.0 111.088 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.433 ' O ' HG22 ' A' ' 57' ' ' ILE . 6.6 m-20 -151.34 150.41 30.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.37 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.678 ' HB2' HG21 ' A' ' 29' ' ' VAL . 6.0 m-85 -130.35 164.67 24.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 110.972 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 HD11 ' HA2' ' A' ' 23' ' ' GLY . 1.8 tp -119.52 116.39 50.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 N-CA-C 107.313 -1.366 . . . . 10.0 107.313 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 20' ' ' ILE . 8.4 t -99.64 105.46 17.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 -176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 44.1 tt0 -102.39 95.71 6.45 Favored 'General case' 0 N--CA 1.439 -0.977 0 N-CA-C 107.842 -1.169 . . . . 10.0 107.842 176.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.518 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -176.82 163.06 2.22 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.297 -1.319 . . . . 10.0 109.594 178.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -115.42 111.97 21.61 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.511 -0.552 . . . . 10.0 109.511 177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' HB3' HG13 ' A' ' 20' ' ' ILE . 9.4 t80 -142.43 132.74 24.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.954 0.407 . . . . 10.0 111.18 -179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -103.54 121.8 43.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.596 -0.729 . . . . 10.0 110.363 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.0 119.07 4.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 10.0 111.089 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.42 HG23 ' ND1' ' A' ' 14' ' ' HIS . 33.1 m -100.03 -19.7 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.537 179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' A' ' 17' ' ' GLU . 50.9 m80 -118.86 162.19 18.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.31 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.623 ' H ' HH22 ' B' ' 72' ' ' ARG . 3.7 m-20 -67.55 -35.3 78.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.426 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -85.9 7.41 24.26 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.892 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' CG ' ' HB2' ' A' ' 14' ' ' HIS . 11.0 mm-40 -105.2 136.17 45.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.054 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.574 HD21 ' CB ' ' A' ' 42' ' ' LEU . 17.6 tp -100.23 146.71 26.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.446 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 88.5 m -88.68 114.09 24.93 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.714 ' O ' HD12 ' A' ' 20' ' ' ILE . 2.1 pp -111.6 132.06 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.99 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -120.81 149.62 42.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.175 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.571 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 21.0 m -48.12 123.86 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.982 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 5' ' ' ILE . . . 97.31 -21.29 46.96 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.846 -0.692 . . . . 10.0 113.638 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -73.29 120.84 19.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.864 0.332 . . . . 10.0 111.46 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.712 HD13 ' H ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -91.96 131.89 37.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.036 -0.529 . . . . 10.0 109.866 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.612 ' O ' HG23 ' A' ' 29' ' ' VAL . 50.1 mt -98.67 126.95 51.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.572 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -77.7 144.45 37.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.182 0.515 . . . . 10.0 111.862 -179.122 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.5 m120 53.19 50.97 16.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.208 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.678 HG21 ' HB2' ' A' ' 4' ' ' TYR . 65.8 t -78.74 115.26 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 10.0 110.46 178.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -129.54 140.57 51.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -75.45 127.02 32.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.981 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD21 ' CB ' ' A' ' 39' ' ' GLU . 3.7 mm? -86.44 -178.42 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.081 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.568 ' NE2' ' H ' ' A' ' 33' ' ' GLN . 0.0 OUTLIER -81.25 0.1 38.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.826 -0.625 . . . . 10.0 110.142 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -101.18 132.17 46.8 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.327 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.564 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 24.2 tt0 -68.16 121.76 16.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.66 -179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.89 10.61 80.7 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.661 -0.7 . . . . 10.0 112.944 179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' HG2' ' A' ' 48' ' ' MET . 0.1 OUTLIER -125.04 124.64 42.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 10.0 110.786 179.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' O ' ' HA ' ' A' ' 48' ' ' MET . 19.7 mt -127.09 151.81 48.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.642 -0.873 . . . . 10.0 108.642 179.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.436 ' CB ' HD21 ' A' ' 32' ' ' LEU . 39.0 tt0 -115.31 142.64 46.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 10.0 110.718 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' HA3' ' CG2' ' A' ' 26' ' ' ILE . . . -167.97 -177.79 39.47 Favored Glycine 0 N--CA 1.446 -0.635 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.772 -179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.15 116.31 27.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.967 0.413 . . . . 10.0 110.646 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' CB ' HD21 ' A' ' 18' ' ' LEU . 0.9 OUTLIER -132.66 130.9 40.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.847 179.558 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.521 ' N ' HD23 ' A' ' 42' ' ' LEU . 88.0 m-20 59.71 29.34 18.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.671 -179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.1 -19.44 22.1 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 121.009 -0.615 . . . . 10.0 113.3 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -98.42 130.38 45.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.916 0.388 . . . . 10.0 111.439 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -91.7 122.63 34.43 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.395 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.72 166.79 32.98 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.984 . . . . 10.0 113.133 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 38' ' ' LEU . 11.3 tpp -83.91 147.58 27.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.609 -0.295 . . . . 10.0 110.359 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.486 ' CD1' HG11 ' A' ' 54' ' ' VAL . 2.7 p90 -146.5 155.28 49.41 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.83 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.603 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 24.6 Cg_exo -62.66 137.31 63.13 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.487 2.124 . . . . 10.0 112.228 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.41 -38.11 84.12 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.341 0.497 . . . . 10.0 112.341 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.13 13.89 0.36 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.971 0.36 . . . . 10.0 111.971 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.603 ' CD1' ' HB2' ' A' ' 50' ' ' PRO . 3.3 m-85 -117.54 -25.74 6.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.978 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 HG22 ' A' ' 6' ' ' VAL . 3.2 m -102.03 150.36 6.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.047 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -131.7 123.69 28.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.709 -0.678 . . . . 10.0 109.976 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HA ' ' CD2' ' A' ' 4' ' ' TYR . 11.3 pt-20 -44.72 137.15 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 10.0 111.709 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 3' ' ' ASP . 8.4 tp -76.12 129.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.386 -0.816 . . . . 10.0 110.638 -179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.604 0.24 . . . . 10.0 110.8 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.73 156.91 19.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.371 -0.377 . . . . 10.0 110.3 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.496 ' O ' HG23 ' B' ' 14' ' ' THR . 32.2 pt -120.02 -160.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.3 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -159.16 94.04 1.18 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.102 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.54 136.38 23.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 10.0 111.528 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -97.06 120.97 38.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.036 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 44.8 p -103.7 131.47 50.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.65 0.262 . . . . 10.0 110.91 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 70.0 mt -38.12 -52.5 1.43 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.978 -0.555 . . . . 10.0 111.475 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.3 p -44.23 -58.16 3.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.244 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.564 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.71 25.33 0.1 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.782 -0.723 . . . . 10.0 113.104 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -115.51 132.89 56.49 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.3 p -94.64 82.47 3.96 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 108.939 -0.763 . . . . 10.0 108.939 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.433 HG13 ' O ' ' B' ' 13' ' ' ILE . 16.7 pt -80.06 106.71 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 CA-C-O 121.489 0.661 . . . . 10.0 111.219 -178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.496 HG23 ' O ' ' B' ' 3' ' ' ILE . 18.4 m -79.55 158.63 27.12 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 107.686 -1.227 . . . . 10.0 107.686 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.718 HD21 ' HB2' ' B' ' 29' ' ' LYS . 42.9 tp -152.75 146.89 25.46 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.188 0.449 . . . . 10.0 112.01 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -75.2 134.49 41.17 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.794 -0.639 . . . . 10.0 110.282 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.505 HG22 ' N ' ' B' ' 18' ' ' GLU . 12.2 p -166.33 163.32 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.937 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.505 ' N ' HG22 ' B' ' 17' ' ' VAL . 29.4 mt-10 -126.2 159.36 62.83 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 10.0 110.239 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -57.32 -26.85 72.63 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.368 2.045 . . . . 10.0 112.66 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.3 m -86.31 -15.28 41.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.209 -0.45 . . . . 10.0 111.898 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.22 143.52 57.77 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.878 0.37 . . . . 10.0 111.536 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 69.7 p -86.51 163.94 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.045 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.65 HD13 ' HB3' ' B' ' 50' ' ' LEU . 44.8 mt -72.92 -32.74 41.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.509 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.6 -30.67 71.75 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.289 0.566 . . . . 10.0 109.514 178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -71.94 -56.95 4.77 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.188 -0.914 . . . . 10.0 108.72 178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 71.6 t -45.91 -33.85 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.362 -0.835 . . . . 10.0 111.07 178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -66.79 -45.52 78.16 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.872 -0.418 . . . . 10.0 109.872 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.494 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -56.11 -51.86 66.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 115.821 -0.627 . . . . 10.0 109.324 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.718 ' HB2' HD21 ' B' ' 15' ' ' LEU . 32.0 mmmt -51.6 -31.85 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.91 . . . . 10.0 112.244 179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 29.3 mm -75.83 -40.57 39.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.494 ' HG2' ' HA ' ' B' ' 28' ' ' ALA . 3.6 pt20 -77.58 -0.86 28.03 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.692 179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -108.77 -5.09 16.44 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.851 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -133.01 -10.32 3.0 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.293 -0.412 . . . . 10.0 111.076 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.467 ' CG ' HD13 ' B' ' 36' ' ' ILE . 26.5 tt0 -135.18 -18.47 1.77 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.619 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 71.49 32.44 64.74 Favored Glycine 0 C--N 1.334 0.464 0 C-N-CA 121.041 -0.6 . . . . 10.0 113.528 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.467 HD13 ' CG ' ' B' ' 34' ' ' GLU . 1.5 mp -100.21 116.62 64.31 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.886 0.343 . . . . 10.0 110.773 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 53.6 Cg_exo -52.16 132.92 45.47 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.81 2.34 . . . . 10.0 112.811 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 31.9 Cg_exo -59.26 -38.97 82.32 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.807 2.338 . . . . 10.0 112.328 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -70.35 2.83 3.4 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.162 0.506 . . . . 10.0 110.669 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -134.61 19.78 3.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.402 -0.817 . . . . 10.0 109.284 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -118.94 100.62 7.49 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.893 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 14' ' ' HIS . 20.9 mmt180 -96.34 122.88 39.7 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.742 -0.663 . . . . 10.0 109.734 179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.64 121.95 46.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.158 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 34.2 mt -122.68 128.55 75.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.758 0.314 . . . . 10.0 110.649 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -134.22 131.19 38.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.83 21.74 9.38 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.991 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.15 31.29 31.95 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.823 -0.703 . . . . 10.0 112.569 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.72 115.18 4.81 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.791 0.329 . . . . 10.0 110.725 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -53.75 135.59 41.16 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.589 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.65 ' HB3' HD13 ' B' ' 23' ' ' ILE . 86.7 mt -84.59 119.18 24.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.553 -0.748 . . . . 10.0 110.548 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.587 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -77.11 123.29 26.19 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.95 -0.568 . . . . 10.0 111.192 -178.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.09 -19.63 0.08 Allowed 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 121.864 0.84 . . . . 10.0 108.766 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.544 ' N ' ' C ' ' B' ' 51' ' ' GLU . . . -65.97 -74.1 0.55 Allowed Glycine 0 N--CA 1.422 -2.278 0 CA-C-N 113.854 -1.521 . . . . 10.0 112.818 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -58.29 168.89 0.95 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.004 1.483 . . . . 10.0 115.004 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.2 t -105.04 176.19 5.24 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 113.863 -1.517 . . . . 10.0 109.979 178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.5 mt -61.24 -44.44 97.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.401 . . . . 10.0 110.397 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 75.6 m -50.73 -32.64 20.18 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.703 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.28 -52.01 67.5 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.096 0.474 . . . . 10.0 109.972 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -89.56 25.79 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.935 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 39.6 35.07 0.17 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.881 -0.599 . . . . 10.0 112.226 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.2 mt -74.67 108.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.844 0.354 . . . . 10.0 111.325 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -94.14 -177.68 4.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.828 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -69.05 157.08 37.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.126 0.489 . . . . 10.0 111.859 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 62.49 26.2 15.59 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.285 -0.87 . . . . 10.0 111.305 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 41.5 t -95.54 148.97 21.94 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.297 -0.41 . . . . 10.0 111.513 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.401 ' C ' HD12 ' B' ' 67' ' ' LEU . 10.2 t -87.49 153.81 21.13 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.917 -0.583 . . . . 10.0 110.663 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.401 HD12 ' C ' ' B' ' 66' ' ' THR . 5.5 mp -145.46 110.37 5.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.433 ' CE1' ' CG2' ' B' ' 70' ' ' VAL . 12.9 t-160 -74.09 118.22 16.8 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.442 0.534 . . . . 10.0 112.442 -178.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.471 HD23 ' C ' ' B' ' 69' ' ' LEU . 6.0 tt -103.15 112.91 25.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.398 179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.499 HG12 ' N ' ' B' ' 71' ' ' LEU . 58.7 t -112.63 159.69 12.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.998 -0.547 . . . . 10.0 110.596 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.499 ' N ' HG12 ' B' ' 70' ' ' VAL . 4.5 tt -128.97 -69.93 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 10.0 110.424 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.623 HH22 ' H ' ' A' ' 15' ' ' ASP . 4.6 tpm_? -158.59 -73.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.477 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 49.0 tp -162.86 86.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.571 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.418 ' HG3' ' H ' ' B' ' 76' ' ' GLY . 30.5 tpt85 -103.25 129.08 50.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.519 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -109.19 39.07 3.04 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 121.06 -0.591 . . . . 10.0 112.879 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.418 ' H ' ' HG3' ' B' ' 74' ' ' ARG . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.416 -1.213 . . . . 10.0 112.586 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.76 0.314 . . . . 10.0 110.945 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.431 ' O ' HG22 ' A' ' 57' ' ' ILE . 5.1 p-10 -84.69 165.86 17.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.622 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.763 ' HB2' HG21 ' A' ' 29' ' ' VAL . 5.0 m-85 -130.37 165.7 21.99 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.825 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 tp -120.75 117.13 52.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.32 -1.363 . . . . 10.0 107.32 178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.655 HG22 HG12 ' A' ' 54' ' ' VAL . 15.4 t -102.69 105.29 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.757 0 N-CA-C 112.806 0.669 . . . . 10.0 112.806 -176.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 42.3 mt-10 -102.66 95.62 6.33 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 107.434 -1.321 . . . . 10.0 107.434 175.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.518 ' N ' HG22 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -177.33 168.99 2.28 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.334 -1.303 . . . . 10.0 109.492 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' O ' ' HA3' ' B' ' 47' ' ' GLY . 9.5 m-20 -117.57 110.54 18.06 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.852 -0.795 . . . . 10.0 108.852 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.427 ' HB3' HG12 ' A' ' 20' ' ' ILE . 33.3 t80 -140.81 133.16 28.3 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 121.03 0.443 . . . . 10.0 111.453 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -108.02 125.74 51.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.536 -0.756 . . . . 10.0 110.371 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.14 119.58 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.23 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.9 t -85.96 -16.62 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.009 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -139.68 172.66 12.47 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.595 -0.73 . . . . 10.0 110.326 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.37 -44.1 68.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.486 -0.324 . . . . 10.0 110.929 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.41 ' H ' ' CD2' ' B' ' 73' ' ' LEU . 7.8 p-10 -66.5 -1.67 3.84 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 120.794 0.33 . . . . 10.0 110.499 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -106.37 136.19 46.54 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.07 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 ' HA ' HH21 ' A' ' 45' ' ' ARG . 0.5 OUTLIER -98.61 143.92 28.48 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.522 -179.267 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -89.73 114.64 26.35 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.549 HD12 HG11 ' A' ' 6' ' ' VAL . 2.1 pt -114.18 129.54 69.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 10.0 111.636 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -117.55 154.31 31.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.35 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.569 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 52.8 t -48.54 123.59 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.094 -0.503 . . . . 10.0 112.234 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.03 -17.81 58.61 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 121.032 -0.604 . . . . 10.0 113.529 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.8 118.75 18.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 10.0 111.234 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 29.2 pt -91.92 133.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.749 -0.66 . . . . 10.0 110.295 179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 34.9 mt -99.6 127.21 52.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.268 -0.424 . . . . 10.0 110.597 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.2 mtt85 -71.99 145.7 48.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.713 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 40.77 63.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.539 -0.755 . . . . 10.0 113.034 178.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.763 HG21 ' HB2' ' A' ' 4' ' ' TYR . 54.1 t -83.79 124.66 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 10.0 110.484 178.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -131.33 140.8 49.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.637 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 31' ' ' LYS . 2.4 mppt? -67.45 133.2 49.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.958 -0.565 . . . . 10.0 110.989 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 33' ' ' GLN . 34.0 tp -89.54 170.5 10.44 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.369 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.445 ' N ' ' HG ' ' A' ' 32' ' ' LEU . 12.8 mm100 -74.16 -1.64 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.403 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -107.0 135.53 48.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.727 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.615 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 18.5 tt0 -65.55 120.18 12.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.46 -0.791 . . . . 10.0 111.334 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.22 13.35 68.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.981 -0.628 . . . . 10.0 112.424 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CZ2' HG12 ' B' ' 70' ' ' VAL . 70.1 m95 -122.74 125.22 45.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 10.0 110.804 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 48' ' ' MET . 6.5 mp -130.62 150.85 51.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -115.79 140.42 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.792 0.329 . . . . 10.0 110.656 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -165.83 -179.47 39.44 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.683 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -115.87 116.28 27.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.055 0.455 . . . . 10.0 110.648 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.16 134.66 42.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.567 -0.742 . . . . 10.0 110.176 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-20 61.65 29.26 18.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.837 -0.619 . . . . 10.0 110.875 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.99 16.55 80.6 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 121.019 -0.61 . . . . 10.0 113.658 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.446 HH21 ' HA ' ' A' ' 18' ' ' LEU . 51.5 ttp85 -138.55 133.66 32.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.722 0.296 . . . . 10.0 110.643 179.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 40' ' ' GLY . 16.9 ptm180 -87.96 123.83 33.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 10.0 110.558 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -151.93 161.37 29.28 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.762 -0.732 . . . . 10.0 112.833 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.61 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -85.43 146.86 26.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.692 0.282 . . . . 10.0 110.319 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.663 ' CD1' HG11 ' A' ' 54' ' ' VAL . 1.4 p90 -141.9 157.38 64.48 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.485 -0.325 . . . . 10.0 111.411 -178.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.566 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 15.5 Cg_exo -67.96 136.37 37.97 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.641 2.227 . . . . 10.0 111.925 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.13 -35.96 82.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.214 0.45 . . . . 10.0 112.214 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -73.66 15.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' O ' HG13 ' A' ' 6' ' ' VAL . 4.6 m-85 -123.9 -28.74 3.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.438 -0.346 . . . . 10.0 110.159 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.663 HG11 ' CD1' ' A' ' 49' ' ' PHE . 4.4 m -102.69 147.78 8.81 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.727 -0.669 . . . . 10.0 110.812 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -132.4 127.27 35.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.293 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -44.18 139.59 2.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.882 0.372 . . . . 10.0 111.641 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 3' ' ' ASP . 10.5 tp -73.83 128.08 36.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.97 -0.559 . . . . 10.0 110.46 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.793 -179.673 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptt? . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.481 0.182 . . . . 10.0 111.069 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -110.32 156.03 21.29 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.83 0.348 . . . . 10.0 110.595 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.733 ' O ' HD12 ' B' ' 3' ' ' ILE . 2.1 pp -140.16 145.0 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.474 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -102.88 114.96 29.67 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.2 t -92.14 141.83 13.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.479 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.38 119.3 36.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.511 -0.313 . . . . 10.0 110.435 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 m -100.19 130.86 46.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.862 0.363 . . . . 10.0 111.528 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.773 ' H ' HD12 ' B' ' 8' ' ' LEU . 2.3 mp -40.53 -47.96 2.76 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 10.0 112.153 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.2 m -53.87 -53.42 52.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.688 0.28 . . . . 10.0 110.771 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.615 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 144.04 22.52 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.111 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -112.59 129.01 56.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 10.0 111.856 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 48.5 p -95.73 89.28 5.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.507 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 mm -86.84 109.58 19.26 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.314 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.477 ' HA ' ' O ' ' B' ' 3' ' ' ILE . 1.9 t -96.09 111.95 23.83 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.674 -0.694 . . . . 10.0 111.168 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.484 ' N ' HD12 ' B' ' 15' ' ' LEU . 5.0 mp -103.16 160.0 15.04 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.43 0.9 . . . . 10.0 113.43 -178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' B' ' 16' ' ' GLU . 0.0 OUTLIER -78.12 138.84 38.93 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.4 178.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.454 HG22 ' N ' ' B' ' 18' ' ' GLU . 10.8 p -166.16 159.81 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 10.0 111.427 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.454 ' N ' HG22 ' B' ' 17' ' ' VAL . 35.9 mt-10 -119.92 158.33 50.35 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.754 -0.657 . . . . 10.0 110.18 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HB3' ' B' ' 18' ' ' GLU . 18.1 Cg_endo -59.62 -26.82 83.31 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.421 2.08 . . . . 10.0 112.334 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 37.9 t -86.86 -9.59 55.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 10.0 111.614 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -68.44 146.88 52.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 10.0 111.208 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 77.1 p -89.61 166.05 13.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.142 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.481 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 26.1 mm -74.98 -34.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 10.0 109.866 179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.11 -35.74 75.91 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.192 -0.67 . . . . 10.0 109.192 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -68.81 -60.09 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.418 -0.81 . . . . 10.0 109.286 179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.446 HG12 ' O ' ' B' ' 23' ' ' ILE . 0.3 OUTLIER -44.98 -29.49 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 115.677 -0.692 . . . . 10.0 111.073 178.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -67.68 -44.8 76.92 Favored 'General case' 0 N--CA 1.462 0.146 0 N-CA-C 109.813 -0.44 . . . . 10.0 109.813 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.22 -54.14 50.23 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.817 -0.629 . . . . 10.0 109.851 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -47.58 -30.9 3.95 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 13.3 mm -76.64 -39.9 32.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.889 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -79.42 -1.58 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.476 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -108.92 -11.24 15.02 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.092 -0.504 . . . . 10.0 111.114 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -130.31 -2.98 4.4 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.341 -0.391 . . . . 10.0 111.141 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.487 ' HG2' HD13 ' B' ' 36' ' ' ILE . 18.6 tt0 -138.03 -21.57 1.08 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.527 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.51 27.97 66.54 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 121.151 -0.547 . . . . 10.0 113.483 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.487 HD13 ' HG2' ' B' ' 34' ' ' GLU . 1.6 mp -98.4 120.3 59.69 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.797 0.298 . . . . 10.0 110.758 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.24 139.72 62.89 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.626 2.218 . . . . 10.0 112.225 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.95 -37.11 27.83 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.484 2.122 . . . . 10.0 111.926 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -67.35 -12.24 59.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.815 179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.32 19.69 12.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.816 -0.629 . . . . 10.0 110.099 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.63 97.11 5.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.351 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -94.33 119.44 33.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.618 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -113.0 116.38 29.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.335 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' B' ' 68' ' ' HIS . 26.9 pt -119.5 130.45 74.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.33 -0.395 . . . . 10.0 111.036 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -134.92 133.87 40.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 16.32 8.8 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.598 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 9' ' ' ASP . . . 89.75 11.9 63.13 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.96 -0.638 . . . . 10.0 112.934 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.0 mmtm -131.25 121.13 24.24 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.758 0.313 . . . . 10.0 111.082 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 15.7 tm0? -60.74 126.62 28.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 71.4 mt -75.74 124.21 26.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.569 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.557 ' HG3' ' H ' ' B' ' 53' ' ' GLY . 8.6 tp10 -82.98 131.72 35.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.776 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.481 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 5.8 m-20 -60.68 -2.28 0.51 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.524 0.678 . . . . 10.0 109.453 178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.557 ' H ' ' HG3' ' B' ' 51' ' ' GLU . . . -103.1 10.2 54.99 Favored Glycine 0 N--CA 1.432 -1.594 0 CA-C-N 114.736 -1.12 . . . . 10.0 113.705 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -134.14 159.53 40.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.836 0.35 . . . . 10.0 111.392 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 66.0 p -97.69 169.65 9.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.42 178.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.8 mp -57.01 -44.55 82.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.077 0.465 . . . . 10.0 109.952 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 71.0 m -48.62 -35.01 12.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.823 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.85 -48.94 79.57 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.053 0.454 . . . . 10.0 110.346 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.65 23.67 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.514 -0.766 . . . . 10.0 110.888 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 p30 40.55 40.49 0.91 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.953 -0.567 . . . . 10.0 112.008 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.1 mt -79.79 105.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.464 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -90.36 -178.04 5.25 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.921 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 158.46 33.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 121.126 0.489 . . . . 10.0 111.895 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 61.06 28.03 17.81 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.316 -0.856 . . . . 10.0 111.1 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 82.6 p -97.65 147.16 24.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.257 -0.429 . . . . 10.0 111.507 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -84.09 155.69 22.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.844 -0.617 . . . . 10.0 110.31 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 63.8 mt -149.53 102.59 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.793 -0.447 . . . . 10.0 109.793 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.445 ' HB3' ' CG1' ' B' ' 44' ' ' ILE . 7.9 t-80 -69.52 124.59 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.307 0.484 . . . . 10.0 112.307 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -108.22 118.83 37.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.217 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.431 HG12 ' CZ2' ' A' ' 37' ' ' TRP . 12.9 m -126.09 177.82 4.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.366 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 70.4 mt -121.56 -168.7 1.73 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.78 -0.645 . . . . 10.0 110.66 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -72.01 -161.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.529 ' C ' HD13 ' B' ' 73' ' ' LEU . 3.4 tm? -63.04 122.13 15.29 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.745 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.468 ' NH2' HD23 ' B' ' 8' ' ' LEU . 38.9 mtm105 -139.57 176.68 8.52 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.22 -0.445 . . . . 10.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -83.57 3.0 86.47 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.078 -0.582 . . . . 10.0 112.465 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.429 -1.206 . . . . 10.0 112.436 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.892 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -84.25 153.62 23.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.206 -0.452 . . . . 10.0 110.772 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.666 ' HB2' HG21 ' A' ' 29' ' ' VAL . 7.0 m-85 -128.27 166.68 18.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.633 . . . . 10.0 111.043 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -127.56 117.58 47.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 177.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.861 HG22 HG12 ' A' ' 54' ' ' VAL . 19.9 t -98.24 107.4 20.22 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.662 0 N-CA-C 113.234 0.828 . . . . 10.0 113.234 -176.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 22' ' ' VAL . 40.0 mt-10 -100.78 94.82 6.26 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 175.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.444 ' N ' HG12 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -178.08 172.89 1.55 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.33 -1.305 . . . . 10.0 109.427 179.144 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -123.03 110.66 15.62 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.133 -0.692 . . . . 10.0 109.133 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HB3' HG12 ' A' ' 20' ' ' ILE . 73.6 t80 -140.29 131.87 27.13 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.945 0.402 . . . . 10.0 111.034 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -105.03 125.27 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.644 -0.707 . . . . 10.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.76 119.6 6.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.708 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.5 m -92.33 -18.19 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.231 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.502 ' HE2' ' NE ' ' B' ' 72' ' ' ARG . 43.2 t-80 -137.6 175.84 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.885 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 8.3 t70 -65.65 -44.77 85.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 10.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -73.8 -1.12 18.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.896 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -97.07 135.92 38.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.303 -0.408 . . . . 10.0 110.272 179.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.512 HD21 ' CB ' ' A' ' 42' ' ' LEU . 19.6 tp -104.24 138.69 40.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.186 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 96.3 m -85.57 113.19 21.62 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.162 -0.681 . . . . 10.0 109.162 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.634 HD12 HG11 ' A' ' 6' ' ' VAL . 7.0 pt -114.95 128.23 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.704 -0.68 . . . . 10.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -121.48 156.69 32.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.811 -0.632 . . . . 10.0 110.47 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.512 ' HA ' ' HA ' ' A' ' 7' ' ' GLU . 15.7 m -47.95 124.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.902 -0.59 . . . . 10.0 112.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.92 -21.18 40.97 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.01 -0.614 . . . . 10.0 113.686 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -70.26 114.87 8.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.959 0.38 . . . . 10.0 111.045 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 28.8 pt -87.96 134.13 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD13 ' CE2' ' A' ' 49' ' ' PHE . 42.1 mt -101.54 123.98 55.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.476 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -74.87 146.66 41.73 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.165 0.507 . . . . 10.0 111.772 -179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.539 ' N ' HD22 ' A' ' 28' ' ' ASN . 0.9 OUTLIER 43.69 62.12 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.437 -0.802 . . . . 10.0 113.044 178.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 4' ' ' TYR . 73.5 t -82.86 123.6 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.72 0.295 . . . . 10.0 110.465 178.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -128.39 133.99 48.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.782 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 31' ' ' LYS . 2.3 mppt? -68.43 128.77 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.606 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.51 176.79 7.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.797 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.453 ' H ' ' CD ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -76.92 -6.68 53.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.405 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -96.88 131.21 43.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 10.0 110.409 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.465 ' CB ' ' HA2' ' B' ' 10' ' ' GLY . 20.1 tt0 -65.46 122.2 16.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.627 -0.715 . . . . 10.0 111.47 -179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.42 8.72 80.52 Favored Glycine 0 N--CA 1.449 -0.435 0 CA-C-N 115.758 -0.656 . . . . 10.0 113.508 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.549 ' C ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -124.47 124.88 43.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.059 0.457 . . . . 10.0 110.882 179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD12 ' C ' ' A' ' 37' ' ' TRP . 8.5 mp -125.44 155.25 40.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.353 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp20? -115.82 146.32 42.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.759 0.314 . . . . 10.0 110.363 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 46' ' ' ARG . . . -170.97 -178.29 41.43 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.955 -0.641 . . . . 10.0 112.061 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -115.34 115.96 27.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 10.0 110.979 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 43' ' ' ASN . 5.8 tt -128.96 127.1 41.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.539 179.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.595 ' N ' HD23 ' A' ' 42' ' ' LEU . 63.4 t30 61.88 32.59 17.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 10.0 110.462 -179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.1 -20.11 8.94 Favored Glycine 0 C--N 1.335 0.511 0 C-N-CA 121.118 -0.563 . . . . 10.0 113.551 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -100.29 130.29 46.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 10.0 110.904 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 46' ' ' ARG . 10.3 mtp180 -90.89 131.67 36.38 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.32 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -158.55 168.13 34.75 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.462 -0.875 . . . . 10.0 112.898 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.514 ' HB3' ' CD1' ' A' ' 37' ' ' TRP . 35.0 mtt -85.72 146.87 26.61 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.516 ' CD1' HG11 ' A' ' 54' ' ' VAL . 3.6 p90 -147.44 157.19 45.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.386 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HB2' ' CD1' ' A' ' 53' ' ' PHE . 21.4 Cg_exo -65.23 137.85 53.55 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.65 2.233 . . . . 10.0 112.271 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.446 ' C ' ' H ' ' A' ' 53' ' ' PHE . 11.9 p-10 -66.37 -41.65 89.14 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.723 0.638 . . . . 10.0 112.723 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -71.11 16.58 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.18 0.437 . . . . 10.0 112.18 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.63 ' O ' HG13 ' A' ' 6' ' ' VAL . 3.4 m-85 -119.94 -27.53 5.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.949 0.404 . . . . 10.0 110.072 179.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.861 HG12 HG22 ' A' ' 6' ' ' VAL . 3.4 m -102.61 148.13 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.492 -179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -127.81 120.45 27.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -54.74 138.85 41.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.117 0.484 . . . . 10.0 112.105 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.451 HD11 ' CG2' ' A' ' 5' ' ' ILE . 23.9 mm -102.26 129.68 53.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.117 178.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.9 pttm . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.133 -0.937 . . . . 10.0 110.954 -179.599 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.495 0.188 . . . . 10.0 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -107.67 156.69 18.79 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.632 0.253 . . . . 10.0 110.74 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.529 HD13 ' H ' ' B' ' 3' ' ' ILE . 0.1 OUTLIER -139.08 144.97 28.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.35 -0.387 . . . . 10.0 110.408 179.468 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -102.93 112.55 25.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.826 0.346 . . . . 10.0 111.762 -178.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 30.6 t -94.36 141.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.492 . . . . 10.0 110.272 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -98.63 123.66 42.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.445 -0.343 . . . . 10.0 110.914 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 25.4 m -102.39 129.49 48.88 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.169 -0.469 . . . . 10.0 111.354 -179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.428 HD11 ' H ' ' B' ' 71' ' ' LEU . 83.5 mt -42.16 -38.07 1.61 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.992 -0.549 . . . . 10.0 112.434 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -59.73 -54.09 50.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.809 0.338 . . . . 10.0 110.462 179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.465 ' HA2' ' CB ' ' A' ' 35' ' ' GLU . . . 145.76 23.5 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.796 -0.716 . . . . 10.0 112.985 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -114.02 137.93 51.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.023 0.439 . . . . 10.0 111.993 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.7 p -103.69 89.59 3.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.506 -0.77 . . . . 10.0 108.933 178.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 17.0 pt -81.01 116.87 26.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.839 -0.618 . . . . 10.0 112.611 -177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 44.0 p -90.26 124.71 35.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.145 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 95.8 mt -123.34 147.52 46.95 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.91 130.61 37.79 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.752 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.412 HG22 ' N ' ' B' ' 18' ' ' GLU . 11.4 p -160.37 157.58 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 10.0 111.228 -179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.412 ' N ' HG22 ' B' ' 17' ' ' VAL . 35.0 mm-40 -119.31 159.61 44.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.931 -0.577 . . . . 10.0 110.468 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -60.01 -25.73 80.46 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.56 2.173 . . . . 10.0 112.35 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.0 m -88.18 -11.1 47.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.438 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -66.17 145.51 55.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.365 -0.38 . . . . 10.0 111.233 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 73.3 p -91.24 160.65 15.42 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.976 -0.556 . . . . 10.0 111.209 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.4 mm -67.91 -39.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.218 -0.446 . . . . 10.0 110.155 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -56.93 -33.16 66.71 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.096 -0.502 . . . . 10.0 109.99 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -71.89 -56.31 5.95 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.673 -0.862 . . . . 10.0 108.673 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.436 ' HA ' ' NZ ' ' B' ' 29' ' ' LYS . 93.7 t -45.17 -34.21 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.474 -0.785 . . . . 10.0 111.0 178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.77 -46.94 80.02 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.914 0.388 . . . . 10.0 110.08 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.53 57.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.731 -0.668 . . . . 10.0 110.334 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.436 ' NZ ' ' HA ' ' B' ' 26' ' ' VAL . 37.4 mtmm -49.58 -30.49 8.75 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.916 -0.583 . . . . 10.0 111.514 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 68.4 mt -78.79 -38.34 21.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.419 HE21 ' HB3' ' B' ' 31' ' ' GLN . 0.9 OUTLIER -77.41 -4.41 45.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.509 179.235 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -107.75 -10.78 15.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.103 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -124.5 -15.42 6.62 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.342 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -129.79 -14.39 4.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.418 -0.356 . . . . 10.0 111.106 -179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.12 35.25 88.47 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.932 -0.652 . . . . 10.0 113.25 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.405 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 53.4 mt -102.74 118.07 59.27 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.693 0.247 . . . . 10.0 110.417 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.449 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 9.8 Cg_endo -54.34 133.74 57.57 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.625 2.217 . . . . 10.0 112.723 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -59.51 -37.9 86.24 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 122.965 2.444 . . . . 10.0 112.77 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.86 -11.84 57.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.982 0.42 . . . . 10.0 110.629 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -118.92 21.05 12.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.438 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 22.4 mt-30 -116.12 102.53 9.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.248 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.436 ' HB2' HG13 ' B' ' 70' ' ' VAL . 57.0 mtp180 -98.03 117.98 33.59 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.496 -0.557 . . . . 10.0 109.496 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.493 ' N ' HD12 ' B' ' 43' ' ' LEU . 6.5 mp -110.5 119.18 38.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.162 -179.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.434 ' N ' HD12 ' B' ' 44' ' ' ILE . 4.8 mp -123.03 129.2 75.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 10.0 110.631 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -136.26 133.3 36.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.61 19.67 9.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.925 -0.58 . . . . 10.0 111.678 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.5 30.83 32.09 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.857 -0.687 . . . . 10.0 112.614 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -150.21 118.12 6.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.022 0.439 . . . . 10.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.514 ' H ' ' CD ' ' B' ' 49' ' ' GLN . 23.1 mp0 -56.35 132.74 51.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.151 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 58.9 mt -80.67 125.99 30.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.868 -0.605 . . . . 10.0 110.335 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 34.9 tt0 -85.08 129.55 34.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.132 -179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -52.62 -26.57 13.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.527 179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -90.73 13.78 64.85 Favored Glycine 0 C--N 1.332 0.318 0 C-N-CA 121.136 -0.554 . . . . 10.0 113.62 -179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -125.22 154.41 41.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.684 0.278 . . . . 10.0 110.794 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 47.6 p -99.08 169.16 9.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.715 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 mp -58.1 -44.56 87.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.088 0.47 . . . . 10.0 110.059 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.8 p -50.16 -32.8 17.11 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.446 -0.797 . . . . 10.0 111.619 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.54 -45.59 93.3 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.055 0.455 . . . . 10.0 110.4 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -95.87 23.2 6.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.754 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 42.47 36.19 0.75 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.729 -0.669 . . . . 10.0 112.181 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 88.9 mt -76.74 106.3 6.53 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 10.0 111.403 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 61.1 mm-40 -92.87 -179.41 5.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.781 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -67.68 157.72 33.94 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.113 0.483 . . . . 10.0 111.867 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 63.86 26.1 14.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.265 -0.88 . . . . 10.0 111.187 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.9 p -71.94 -161.35 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.05 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 32.6 p -157.49 90.47 1.1 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.144 -0.48 . . . . 10.0 110.846 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.4 mp -84.23 154.44 23.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -113.89 118.48 34.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.125 -0.489 . . . . 10.0 110.553 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.449 HD23 ' C ' ' B' ' 69' ' ' LEU . 5.1 tt -101.51 114.47 28.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.231 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.571 HG22 ' N ' ' B' ' 71' ' ' LEU . 12.7 p -120.49 165.51 15.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.966 0.412 . . . . 10.0 111.703 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.571 ' N ' HG22 ' B' ' 70' ' ' VAL . 6.7 tt -152.64 133.38 13.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.261 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.529 ' N ' HD23 ' B' ' 71' ' ' LEU . 80.0 ttt180 -51.01 106.48 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.123 -0.49 . . . . 10.0 111.062 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 54.85 91.84 0.03 OUTLIER 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.054 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -116.84 -60.6 1.83 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.484 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.57 -2.19 15.07 Favored Glycine 0 C--N 1.331 0.299 0 CA-C-N 115.997 -0.547 . . . . 10.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.408 -1.218 . . . . 10.0 112.659 179.879 . . . . . . . . 0 0 . 1 stop_ save_