data_5nca_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 5nca _Structure_validation_residue.Date_analyzed 2017-06-30 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 ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 121.26 0.553 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.2 t -66.23 -39.06 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.622 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.46 -20.82 58.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.061 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 58' ' ' VAL . 9.2 p -51.74 -41.29 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.997 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.414 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 6.2 p -74.78 -30.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.37 96.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.96 -42.4 99.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.852 0.358 . . . . 0.0 110.629 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.66 -28.23 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.65 87.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.471 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.17 96.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 8.8 mp -62.3 -39.19 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.385 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.94 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -62.88 -40.0 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 59.9 tp -61.39 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.38 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.98 -36.95 83.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -82.59 -21.06 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.57 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 81.0 m-20 53.15 40.49 31.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 72.8 mm-40 -63.04 -40.84 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.705 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 71' ' ' GLU . 99.1 m-20 -139.91 132.47 28.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.08 142.47 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.2 p -73.58 165.53 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.612 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.22 -47.58 83.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -50.06 -50.56 47.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.095 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.74 -48.45 79.15 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.188 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mp -39.89 -67.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.983 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.01 -38.59 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.751 0.31 . . . . 0.0 110.406 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.12 81.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.16 -11.84 48.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 109.825 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.15 19.7 79.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -62.09 -40.84 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.921 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.0 pt -68.22 148.09 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.034 0.445 . . . . 0.0 110.952 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.609 ' HG1' ' NE2' ' A' ' 88' ' ' GLN . 39.4 p -80.46 168.18 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.225 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.73 -38.38 84.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.62 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.24 -40.71 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.071 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.609 ' NE2' ' HG1' ' A' ' 85' ' ' THR . 2.6 mp0 -77.42 -21.79 52.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.288 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.13 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.8 -23.04 62.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.055 0.455 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.35 -14.09 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.629 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.548 -178.858 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' LYS . 57.7 t . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.811 0.338 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.4 m -39.87 -23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.537 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' VAL . 26.8 mmtp -62.0 -40.16 94.72 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.237 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.32 -44.65 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.3 -46.76 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.73 -38.94 92.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.743 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -60.8 -47.92 84.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.026 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -67.84 -39.42 83.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.46 -23.98 66.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.705 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.61 -42.2 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.537 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.77 -40.06 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.618 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 69' ' ' LYS . 68.1 m-85 -70.75 -28.31 64.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.1 t -58.85 -41.17 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.809 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.16 -39.74 91.23 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.721 -0.392 . . . . 0.0 109.992 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -86.59 -17.12 34.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' TYR . 20.4 tptp -70.11 -35.69 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.5 m120 57.52 51.02 10.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.317 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.79 -40.12 87.22 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.154 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 57.4 p-10 -152.08 145.88 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.514 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.54 154.11 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.155 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.472 ' HG ' ' H ' ' A' ' 77' ' ' LYS . 82.6 p -81.42 167.94 18.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.744 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.84 -39.78 72.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.905 0.383 . . . . 0.0 110.917 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' H ' ' HG ' ' A' ' 74' ' ' SER . 68.6 mttm -66.65 -22.32 66.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.419 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -56.08 3.36 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.85 -39.68 39.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.04 90.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.46 -26.58 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.612 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.69 16.52 75.24 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.786 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.3 pt -59.15 174.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.486 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.7 p -72.38 157.36 37.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.26 0.552 . . . . 0.0 111.595 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -70.16 -39.56 75.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.063 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -45.07 95.12 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.218 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.36 -40.15 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.653 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.37 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.2 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.51 -39.86 95.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.121 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.38 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.208 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.542 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.46 0.07 0 CA-C-O 120.879 0.371 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.87 -42.33 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.83 -41.12 90.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' O ' ' OG ' ' A' ' 60' ' ' SER . 56.0 t -61.27 -43.84 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.75 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.83 -44.66 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.11 -38.88 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.201 0.524 . . . . 0.0 110.619 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 57' ' ' VAL . 89.0 p -62.96 -19.76 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.537 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.21 -46.58 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.842 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.94 81.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.588 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.89 -38.83 79.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.61 -31.44 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.497 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 t -60.68 -39.44 88.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.597 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.32 -43.28 88.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.339 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.82 -42.45 97.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.8 -7.92 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.195 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.72 18.08 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.621 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 42.86 62.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.409 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -159.99 161.59 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.17 131.48 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.4 p -82.27 164.54 21.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.73 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.51 -29.92 41.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.1 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.99 -47.44 85.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.282 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' ASP . 62.3 mttp -61.6 -63.99 1.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.611 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 mp -38.43 -68.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.235 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -54.66 -43.09 72.09 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.587 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.14 -28.07 69.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 109.854 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 77' ' ' LYS . 97.0 m-20 -88.86 -3.99 58.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.83 7.4 85.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -62.06 -38.6 89.38 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -124.92 162.09 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.47 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 78.7 p -73.04 149.57 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.542 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.16 -32.48 19.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.427 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.05 -41.61 97.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.071 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.62 -40.46 95.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.692 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.69 -25.07 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.28 80.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.768 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.133 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 57' ' ' VAL . 80.8 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.56 -42.0 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -56.0 -22.5 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 6.1 p -53.32 -25.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.325 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.02 -21.78 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.696 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.68 -38.28 84.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -62.55 -40.49 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.23 -39.1 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.437 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.408 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.01 -41.96 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.427 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.55 -39.98 92.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.157 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.98 -39.94 95.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.4 t -59.3 -45.02 92.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.23 -39.62 95.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.947 0.404 . . . . 0.0 110.142 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.44 -39.18 93.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -105.94 8.04 32.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 61.8 t30 48.42 44.96 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.38 -39.99 94.99 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.754 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -131.42 123.59 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.78 153.99 33.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.45 . . . . 0.0 111.04 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -75.84 154.96 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.741 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.49 -44.13 97.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.53 -44.7 81.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.804 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -66.73 -50.64 62.15 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.873 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mp -38.61 -68.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.261 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -53.27 -36.74 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.24 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.728 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -84.82 -10.35 57.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.91 21.68 79.64 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -60.71 -38.39 84.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.793 0.33 . . . . 0.0 110.758 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.4 pt -85.83 169.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.446 ' OG1' ' OE1' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -56.25 126.64 27.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.436 . . . . 0.0 111.089 -178.71 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -72.42 -19.24 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.446 ' OE1' ' OG1' ' A' ' 85' ' ' THR . 58.9 mp0 -60.3 -39.58 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.581 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.23 -39.75 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.491 -0.484 . . . . 0.0 109.846 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.41 88.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.159 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.68 -38.75 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.648 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.51 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.38 . . . . 0.0 110.399 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.678 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.825 0.345 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.03 -32.05 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.76 -46.21 91.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.17 -43.86 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.15 -44.74 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.58 -41.92 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.846 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -42.01 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.47 . . . . 0.0 110.42 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -37.68 87.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 66' ' ' SER . 88.5 tt0 -60.85 -41.07 95.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.562 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.12 -41.16 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -68.99 -37.81 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.673 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 63' ' ' GLU . 92.5 p -63.07 -37.71 88.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.06 -49.4 65.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.8 97.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -68.02 -38.86 83.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.582 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 72' ' ' ASP . 63.7 t30 52.46 45.64 28.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.43 66.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.575 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 70' ' ' ASN . 35.5 t0 -160.13 147.86 16.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.545 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.1 139.73 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.523 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.0 t -111.96 158.4 19.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.977 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -56.15 -45.42 79.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -59.78 -41.55 91.35 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.466 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.69 -46.72 81.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.085 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.3 mt -46.61 -48.84 19.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.474 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -58.43 -43.32 88.66 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.83 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.23 66.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -89.71 -3.32 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.061 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.94 78.89 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -63.59 -37.96 89.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.487 0.184 . . . . 0.0 111.29 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -119.81 161.0 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.991 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.9 t -67.2 148.33 51.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -90.65 -25.0 20.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.313 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.26 -42.82 87.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.4 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.613 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -74.36 -43.39 56.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.79 -50.06 69.43 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.821 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.52 -179.747 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.971 0.415 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.8 -42.79 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.119 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.36 -40.85 92.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.882 0.372 . . . . 0.0 111.082 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLU . 53.1 t -61.08 -41.22 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.727 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.3 p -44.6 -19.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.875 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.7 mt-10 -61.98 -40.64 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.55 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.2 p -63.41 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 0.0 110.179 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.37 -27.95 64.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.507 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.52 91.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.76 -44.2 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 10.1 mp -63.01 -40.28 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.518 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -61.89 -40.8 96.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 86.8 mt -62.73 -41.19 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.95 -39.31 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.524 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -68.45 -33.81 74.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 80.0 m-20 56.97 49.36 14.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.744 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.51 -39.87 89.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.419 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.2 144.93 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.1 p -110.21 162.79 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.23 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.0 tp -47.58 -45.41 27.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -60.21 -40.67 90.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.965 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.5 mmtt -70.62 -53.31 16.39 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.4 mt -38.81 -45.39 1.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.479 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.7 -41.15 92.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -78.44 -14.98 59.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.57 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.7 m-20 -95.86 6.99 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.593 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.06 2.33 65.63 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.994 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -65.61 -42.58 91.45 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.765 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.46 141.5 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.507 ' HG1' ' H ' ' A' ' 88' ' ' GLN . 80.5 p -114.23 146.86 39.84 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.716 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.605 ' CG ' ' HZ3' ' A' ' 90' ' ' LYS . 88.6 tt0 -62.45 -41.19 98.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.284 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.507 ' H ' ' HG1' ' A' ' 85' ' ' THR . 53.3 tt0 -70.06 -39.45 75.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.632 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.88 83.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.605 ' HZ3' ' CG ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -66.03 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.697 0.284 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.64 95.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.56 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.601 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.104 0.478 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -69.11 -11.54 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.995 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -61.19 -37.61 83.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.419 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.6 m -52.85 -19.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.0 -43.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.217 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.85 -37.1 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.6 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -60.0 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.85 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.259 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.19 84.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.773 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -38.74 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.405 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.25 -43.98 95.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 109.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.74 -48.28 82.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.2 p -64.86 -24.7 67.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.488 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.12 -41.68 98.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.185 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.49 -40.15 93.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -71.83 -13.37 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.399 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.497 ' OD1' ' NH1' ' A' ' 83' ' ' ARG . 33.1 m120 50.49 46.5 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.47 -42.32 95.98 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.276 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -113.61 102.77 10.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.378 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.82 149.7 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.433 ' HG ' ' H ' ' A' ' 77' ' ' LYS . 83.9 p -80.98 166.4 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.309 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.3 -32.23 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.028 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.91 -40.1 87.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.025 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 98.7 mttt -76.53 -59.24 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mp -38.45 -69.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.715 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -57.51 -41.17 80.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.278 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.59 76.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 11.5 m-20 -85.03 -5.62 59.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.09 15.8 80.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.497 ' NH1' ' OD1' ' A' ' 70' ' ' ASN . 77.2 mtp85 -68.97 -21.63 64.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.91 158.64 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.916 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -73.95 145.73 44.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.772 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -86.22 -20.4 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.79 -39.99 93.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.327 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.29 -42.05 99.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -31.65 49.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 111.023 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.3 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.679 179.741 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.2 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 121.118 0.485 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.14 -18.47 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.817 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.45 -39.44 87.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.36 -44.58 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.186 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -62.44 -42.42 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.681 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.967 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.0 p -64.93 -36.2 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.91 -36.71 84.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.36 87.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' OG ' ' A' ' 66' ' ' SER . 88.5 tt0 -61.47 -39.92 92.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.417 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.31 -43.97 95.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -63.95 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.105 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 63' ' ' GLU . 93.4 p -61.75 -36.31 80.63 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 3.3 mm? -65.75 -37.49 86.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.42 -38.65 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -88.85 -7.17 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.417 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 97.6 m-20 54.46 46.43 24.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.4 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.26 -38.89 88.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.458 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -91.34 134.51 34.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.41 150.74 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 77' ' ' LYS . 88.6 p -110.4 167.2 10.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mp -40.03 -43.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.421 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -60.26 -39.88 88.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.779 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' SER . 33.4 mmtp -75.69 -53.78 8.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 tp -36.52 -40.84 0.27 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.282 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.7 -41.16 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.649 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -64.32 -21.1 66.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.83 -7.89 55.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.335 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.02 -0.29 79.57 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.788 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.37 -44.87 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.498 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -108.95 164.57 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.072 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -54.29 132.35 43.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.728 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -83.46 -29.93 27.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.23 -39.39 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.719 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.31 -43.08 99.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.659 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.26 96.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.34 -39.19 89.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.291 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.08 -41.61 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.826 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 110.163 178.917 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.951 0.405 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.5 -17.58 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.955 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -59.9 -39.81 86.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.407 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.77 -46.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.41 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.16 -19.56 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 111.062 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.66 -44.35 93.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.945 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -63.36 -37.58 87.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.184 0.516 . . . . 0.0 110.155 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.14 -38.11 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.188 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.91 95.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.715 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -74.15 -32.27 63.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.725 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.81 -44.6 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -60.4 -48.03 83.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.827 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.7 m -61.06 -42.33 98.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.36 -49.33 69.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.54 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.143 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -77.39 -15.8 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.578 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.5 t-20 53.61 53.73 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.82 -39.22 88.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.3 106.66 8.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 110.729 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.63 125.27 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.417 ' HG ' ' H ' ' A' ' 77' ' ' LYS . 82.5 p -72.22 164.57 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.81 -46.94 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -54.51 -48.67 71.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.165 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.417 ' H ' ' HG ' ' A' ' 74' ' ' SER . 59.3 mtpt -62.7 -48.46 79.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.552 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.7 mp -38.65 -70.48 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.055 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.525 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 24.5 tm0? -56.89 -38.71 73.17 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.784 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.27 66.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.1 t0 -94.56 2.91 55.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.2 14.07 82.96 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.92 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -62.11 -39.6 93.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.877 0.338 . . . . 0.0 111.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.98 159.53 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.329 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 88' ' ' GLN . 72.6 p -74.44 154.88 38.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.137 0.494 . . . . 0.0 111.274 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.525 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 99.6 mt-10 -92.89 -31.46 14.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.624 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.61 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.83 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 85' ' ' THR . 26.0 pt20 -57.66 -41.19 81.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.717 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.32 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.591 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -67.58 -52.37 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.811 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.59 86.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.246 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.707 179.813 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.957 0.408 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.54 -25.13 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.222 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 58' ' ' VAL . 12.1 tptm -56.68 -28.02 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.382 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.02 -19.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 56' ' ' LYS . 35.7 m -55.3 -18.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -40.03 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.758 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.28 -41.63 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.064 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.89 -37.21 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.377 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -39.13 91.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.35 -41.06 92.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.076 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 91.7 t80 -58.62 -47.42 84.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.4 m -61.0 -39.43 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.71 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.92 -39.05 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.617 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -61.52 -38.45 87.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.514 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.9 mmtp -90.18 -2.07 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.78 49.03 21.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -117.62 106.09 12.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.15 121.86 44.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.667 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.8 p -74.13 171.14 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.99 -48.25 80.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -57.09 -40.2 76.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.611 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -64.47 -52.76 56.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mp -38.99 -63.39 0.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.018 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.1 tm0? -57.95 -39.28 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.2 -35.36 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.4 t0 -88.33 3.45 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.271 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.76 78.62 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.89 -31.78 73.08 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.05 160.0 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.898 0.38 . . . . 0.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -70.05 147.48 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 99.1 mt-10 -90.23 -18.6 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.66 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.98 -42.71 99.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.13 -39.2 93.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.232 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.71 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -82.66 -28.41 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.4 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.44 80.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.818 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.4 t80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.895 -179.767 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.8 m -44.55 -36.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.198 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.5 -38.99 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 59' ' ' GLU . 61.6 t -61.88 -40.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.713 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.0 p -39.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.131 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 mt-10 -61.42 -40.45 94.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.8 p -63.5 -36.78 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 109.97 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -66.57 -28.16 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.527 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.69 81.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.99 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.68 -25.4 26.89 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.401 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -44.27 97.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.04 -47.77 84.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.55 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.08 -43.17 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 60.3 tp -60.95 -45.5 94.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.069 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.84 -37.71 88.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.593 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -68.88 -36.91 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 32.9 m120 58.56 50.47 9.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.65 -39.14 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.896 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -150.31 115.85 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.76 158.97 44.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.547 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.553 ' HG ' ' N ' ' A' ' 75' ' ' LEU . 38.5 t -110.28 156.85 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.789 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.553 ' N ' ' HG ' ' A' ' 74' ' ' SER . 8.5 mp -66.04 -13.78 60.54 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.466 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.49 -35.76 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.416 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.76 -25.19 67.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -88.88 -44.1 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -52.02 -35.13 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.611 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.12 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.478 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -76.27 -19.31 58.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 109.674 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.15 81.18 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.353 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.74 -39.74 95.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.395 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 pt -84.76 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.062 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.54 129.97 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.3 -13.43 46.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.061 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -69.84 -33.2 71.97 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.202 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.62 -27.62 67.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.269 0.557 . . . . 0.0 110.015 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.13 89.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 2.6 mptp? -60.59 -41.58 95.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.02 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.487 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.6 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.293 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.158 0.504 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -39.78 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -58.46 -39.4 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.306 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.58 -42.1 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.12 -19.35 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.28 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -48.22 -20.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.666 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.342 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.43 -28.03 68.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.305 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.53 83.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.964 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.21 95.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.456 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 8.0 mp -62.83 -39.34 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.425 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.654 ' HH ' ' NZ ' ' A' ' 69' ' ' LYS . 89.5 t80 -59.51 -48.48 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.56 -42.57 99.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 110.423 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.91 -43.72 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.369 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.26 -42.35 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.654 ' NZ ' ' HH ' ' A' ' 65' ' ' TYR . 29.4 mmtp -85.2 -5.62 59.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 54.86 49.58 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.162 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -83.85 0.84 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.759 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 48.3 p-10 -160.14 130.9 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.031 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 158.53 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.562 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -82.9 159.95 22.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.82 -45.81 50.47 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -60.06 -42.97 95.64 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.356 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 80' ' ' ALA . 98.7 mttt -67.84 -50.34 57.17 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.75 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 mp -38.8 -44.34 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.753 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.46 -41.89 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.475 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -77.09 -13.0 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.612 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.39 5.71 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.193 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.28 -0.94 78.31 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.222 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.0 -41.82 95.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.477 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.3 pt -135.78 142.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.49 ' HG1' ' H ' ' A' ' 88' ' ' GLN . 72.9 p -113.8 138.2 50.6 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.003 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.75 -40.84 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.19 -43.56 98.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.574 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.49 ' H ' ' HG1' ' A' ' 85' ' ' THR . 64.3 tt0 -66.51 -40.37 89.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.778 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.31 82.27 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.504 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -54.16 -35.18 61.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.931 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.2 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 179.62 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.99 0.424 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -80.17 -24.31 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.26 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.36 -42.68 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.71 -36.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.518 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.651 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.55 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.0 p -64.72 -37.17 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.166 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.62 -37.6 88.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.75 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.24 86.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -43.95 95.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.169 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.47 -43.21 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 109.966 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.61 -46.02 91.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.585 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.27 -43.52 98.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -39.96 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -69.05 -22.73 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.464 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.34 45.37 25.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.32 -38.44 89.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.56 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.13 99.72 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -75.55 176.01 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.563 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.29 -49.02 75.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -52.52 -44.1 65.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.61 -51.46 67.22 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 mp -39.02 -64.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.431 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -55.3 -37.72 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.64 -26.59 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.252 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.85 2.19 53.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.155 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.95 15.88 79.89 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -62.97 -36.07 82.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.421 0.153 . . . . 0.0 111.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.1 pt -125.92 165.15 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.762 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.491 ' HG1' ' CG ' ' A' ' 88' ' ' GLN . 71.4 p -68.91 136.6 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.209 0.528 . . . . 0.0 111.324 -179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.611 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.52 -39.55 93.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.796 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.491 ' CG ' ' HG1' ' A' ' 85' ' ' THR . 98.2 mm-40 -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.901 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.9 85.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.023 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -80.52 -21.67 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.138 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 111.007 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.102 0.477 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.4 -25.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.418 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -59.94 -39.68 86.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.5 m -60.59 -39.01 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.3 p -79.44 -29.26 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.832 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -43.95 96.67 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.662 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.2 p -66.35 -35.44 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.052 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -64.12 -37.45 87.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.4 96.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.26 -41.65 96.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.194 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.99 -41.21 95.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.841 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.11 -49.02 79.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.5 p -65.65 -39.17 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.68 -45.43 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.39 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.25 -22.58 61.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.746 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 60.06 60.25 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.309 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.38 -38.08 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 65.5 t0 -49.99 143.64 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -48.08 110.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -91.22 174.16 7.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 mt -82.46 -24.59 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.41 -40.51 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 -61.36 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.153 0.501 . . . . 0.0 109.986 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -38.73 -68.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.582 HE22 ' CB ' ' A' ' 89' ' ' ALA . 53.2 tt0 -55.51 -41.92 73.78 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.76 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.41 79.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.461 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.59 -2.46 50.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.426 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.54 16.15 80.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -62.23 -38.07 87.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.17 159.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.474 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -65.86 145.71 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -87.0 -33.96 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.368 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -57.67 -34.33 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.643 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.52 -43.38 97.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.582 ' CB ' HE22 ' A' ' 79' ' ' GLN . . . -63.04 -40.75 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -59.62 -38.34 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.78 -44.67 28.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.806 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.487 0.66 . . . . 0.0 109.688 178.415 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 57' ' ' VAL . 93.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.966 0.413 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.64 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.587 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.91 -18.9 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.02 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 9.8 p -48.83 -24.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.33 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.28 -21.61 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.059 0.457 . . . . 0.0 110.352 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.88 -35.48 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.7 p -59.16 -32.4 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.84 -40.72 98.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 109.918 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.59 -36.04 75.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.018 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.09 -40.28 89.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -67.85 -35.81 79.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 110.325 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ASN . 75.4 m -61.79 -37.64 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.314 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.52 -39.72 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.786 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.16 -38.15 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.796 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.35 -20.67 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 109.869 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' SER . 55.1 t30 51.43 24.85 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 42.83 17.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASN . 29.5 t0 -161.2 161.39 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.78 145.98 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.291 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 41.8 t -63.77 -170.61 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 111.222 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' N ' ' OG ' ' A' ' 74' ' ' SER . 7.5 mp -90.48 -41.96 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.782 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.72 -43.77 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 81' ' ' ASP . 57.4 mtmt -64.55 -52.73 56.18 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.667 -0.813 . . . . 0.0 108.914 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mp -39.95 -59.9 1.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.858 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.98 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.61 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -21.32 63.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.9 m-20 -93.79 5.74 50.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.315 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.96 88.36 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.675 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -63.01 -39.93 96.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 109.942 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.1 pt -135.45 140.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.562 ' H ' HE21 ' A' ' 88' ' ' GLN . 71.0 p -115.14 131.61 56.87 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.637 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.2 -41.25 96.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.385 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.562 HE21 ' H ' ' A' ' 85' ' ' THR . 2.6 pt20 -89.47 -19.93 24.5 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.993 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.3 89.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.733 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -74.84 -21.11 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.757 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 34.3 m -65.81 -21.68 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.86 -31.53 72.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.437 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -49.06 -21.42 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 55' ' ' VAL . 31.0 m -60.83 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.46 -39.12 89.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -60.93 -42.07 97.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -63.41 -28.61 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.36 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.555 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.9 -39.2 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.7 -41.13 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.142 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -59.04 -47.2 86.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.645 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 m -60.91 -39.6 90.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.228 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.9 -43.44 98.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.849 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.69 -39.16 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -68.86 -18.62 64.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.182 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 56.32 40.75 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -84.09 58.06 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -80.26 166.89 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 158.06 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.421 ' H ' ' CE ' ' A' ' 77' ' ' LYS . 38.1 t -84.31 171.32 12.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 74' ' ' SER . 8.3 mp -75.02 -17.58 60.48 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.453 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -85.61 -34.5 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.729 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' CE ' ' H ' ' A' ' 74' ' ' SER . 56.0 mtmt -70.71 -19.82 62.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.66 -45.89 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -52.93 -36.48 59.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.37 86.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.971 -0.691 . . . . 0.0 109.251 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -73.86 -24.32 59.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.63 178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.21 17.42 80.01 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.08 -39.89 96.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.1 pt -57.29 168.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.8 t -61.3 143.83 54.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 111.248 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.65 -37.49 86.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.4 -39.82 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.504 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.24 -40.03 94.83 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.701 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.37 94.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -59.81 -43.3 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.322 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.98 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.124 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.594 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 57' ' ' VAL . 94.4 t . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.39 -41.81 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -62.86 -21.64 66.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 4.1 p -50.3 -19.87 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 0.0 110.192 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.41 -43.12 93.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.939 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.78 -41.98 92.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.698 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -64.4 -39.69 94.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.492 . . . . 0.0 109.689 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -62.04 -37.11 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.91 91.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.53 -42.19 98.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.104 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.11 -40.98 95.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.98 -47.64 84.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.228 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.3 m -60.26 -42.34 95.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.959 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.75 -38.9 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.83 -41.26 97.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -89.48 -11.2 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.9 t30 50.92 18.72 0.55 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' ASN . 78.4 mm-40 36.17 -114.8 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.66 92.63 1.86 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.99 149.38 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.423 ' HG ' ' N ' ' A' ' 75' ' ' LEU . 35.8 t -79.99 164.53 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.846 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -62.3 -41.11 98.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.03 -39.32 83.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.759 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.23 -19.42 64.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.596 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 92.3 mt -91.01 -59.19 2.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -56.68 -36.19 69.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.706 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.8 84.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -81.46 -28.52 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.368 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.16 76.1 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.554 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.56 -44.95 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.04 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.71 -179.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 0.0 111.361 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.42 135.15 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.647 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -68.06 -39.88 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.19 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.07 -39.82 93.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.351 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.04 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.23 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.97 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.896 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.13 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.604 179.789 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 56' ' ' LYS . 95.4 t . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.257 0.551 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.01 -9.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.064 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 54' ' ' VAL . 23.3 pttp -49.52 -27.97 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.873 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.62 -46.33 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 109.879 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.47 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.676 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.87 -39.86 90.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.571 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.4 m -61.96 -40.07 94.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.82 -29.5 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.68 -9.73 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.766 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.0 -42.31 99.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.89 -41.01 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.405 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.58 -48.95 79.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.369 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -63.96 -39.19 93.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.739 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -46.24 90.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.761 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.61 97.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.243 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -68.36 -40.35 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.274 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ASP . 53.8 t30 51.7 24.98 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 39.91 21.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.124 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.3 m-20 -96.2 138.92 33.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.511 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 154.28 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.233 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.512 ' HG ' ' N ' ' A' ' 75' ' ' LEU . 43.7 t -85.45 161.59 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.106 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.512 ' N ' ' HG ' ' A' ' 74' ' ' SER . 9.7 mp -70.75 -17.83 62.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.355 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -84.05 -37.06 22.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.73 -18.91 62.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.363 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.03 -57.57 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.6 tm0? -49.28 -26.29 2.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.74 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.58 -16.64 61.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.307 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.32 6.76 80.74 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.43 -35.7 81.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.33 157.86 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.32 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.2 p -79.46 158.04 27.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.159 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 51.6 mp0 -81.03 -36.94 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.705 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -68.06 -37.66 81.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -65.06 -41.0 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.12 81.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -82.79 -25.89 32.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 0.0 110.214 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.76 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.992 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.3 t80 . . . . . 0 C--N 1.327 -0.377 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.917 -179.684 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.0 -41.89 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.323 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.87 -15.9 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.982 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.27 -34.46 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.587 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -78.33 -32.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.692 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.31 -40.28 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.3 p -62.41 -39.29 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.973 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.283 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.25 94.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.744 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.36 -39.58 94.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.371 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -46.28 90.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.66 -48.58 81.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -63.2 -39.34 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.84 -50.64 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.255 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.25 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.4 -41.5 89.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.102 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 27.6 t-20 53.25 23.13 3.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 39.68 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ASN . 68.2 m-20 -123.16 130.8 53.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.77 142.74 44.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.833 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.521 ' HG ' ' H ' ' A' ' 77' ' ' LYS . 80.3 p -80.49 170.09 16.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.593 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.7 -20.45 66.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.112 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.54 -28.8 30.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 0.0 109.995 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.521 ' H ' ' HG ' ' A' ' 74' ' ' SER . 64.0 mmtt -67.98 -28.79 67.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.315 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.3 -48.18 7.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.05 -33.64 65.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.086 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.28 87.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.99 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.61 14.84 77.29 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -61.67 -39.38 91.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -122.82 160.19 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.231 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.4 t -70.93 150.13 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -81.77 -28.4 33.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.502 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.3 -38.7 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.812 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.7 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.67 93.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.81 -37.32 81.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.15 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.561 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.589 . . . . 0.0 109.686 178.491 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.504 ' C ' ' H ' ' A' ' 56' ' ' LYS . 94.6 t . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.143 0.496 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 p -49.08 -8.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.987 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 54' ' ' VAL . 26.3 pttm -52.82 -14.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.039 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.82 -46.0 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.242 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.3 m -75.33 -25.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.879 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.99 -42.35 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.062 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.7 m -65.5 -40.41 93.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.067 0.46 . . . . 0.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 65' ' ' TYR . 1.1 tm0? -63.89 -36.05 82.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.12 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.436 ' O ' ' OG ' ' A' ' 66' ' ' SER . 98.8 mt-10 -60.88 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.643 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.53 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 61' ' ' GLN . 21.3 m-85 -64.18 -39.47 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ASN . 92.6 p -62.37 -36.67 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.586 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 60.7 tp -62.07 -46.47 88.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.205 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -64.36 -40.65 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -76.89 -28.12 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 33.0 m120 58.62 21.86 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.905 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 43.48 34.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -158.96 160.14 35.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 144.47 56.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.6 p -83.48 173.77 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.194 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.77 -37.46 86.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.83 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -67.78 -39.78 84.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.296 -0.561 . . . . 0.0 109.58 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.43 -21.22 62.84 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.464 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.1 -63.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -48.85 -38.73 23.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.38 90.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.218 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.57 -23.69 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.71 5.96 58.5 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.484 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -36.89 84.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.947 0.373 . . . . 0.0 111.523 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 pt -115.97 155.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.989 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 p -79.31 160.32 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -90.44 -40.49 12.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.958 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.71 -35.15 78.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.919 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.4 -43.78 98.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.938 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.64 83.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.168 0.509 . . . . 0.0 110.459 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -73.64 -50.87 18.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.76 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.22 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -121.33 -7.1 9.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.19 153.82 48.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.635 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -118.52 132.55 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.413 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -159.66 156.67 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.128 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.14 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.356 0.598 . . . . 0.0 109.517 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.61 -42.13 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.408 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -58.27 145.8 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.531 . . . . 0.0 111.43 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -154.64 164.87 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.936 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -41.47 97.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.648 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.18 0.79 78.43 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.02 -27.75 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.376 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.41 89.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.389 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.39 140.38 44.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.187 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 1.5 p -110.41 119.5 59.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.26 0.553 . . . . 0.0 111.022 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 68.2 t -66.23 -39.06 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.622 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.46 -20.82 58.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.061 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' CG1' ' N ' ' A' ' 58' ' ' VAL . 9.2 p -51.74 -41.29 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.997 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.414 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 6.2 p -74.78 -30.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.37 96.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.96 -42.4 99.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.852 0.358 . . . . 0.0 110.629 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.66 -28.23 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.65 87.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.471 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.17 96.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 8.8 mp -62.3 -39.19 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.385 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.94 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -62.88 -40.0 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 59.9 tp -61.39 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.38 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.98 -36.95 83.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -82.59 -21.06 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.57 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 81.0 m-20 53.15 40.49 31.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 72.8 mm-40 -63.04 -40.84 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.705 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 71' ' ' GLU . 99.1 m-20 -139.91 132.47 28.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.08 142.47 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.2 p -73.58 165.53 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.612 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.22 -47.58 83.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -50.06 -50.56 47.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.095 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.74 -48.45 79.15 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.188 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mp -39.89 -67.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.983 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.01 -38.59 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.751 0.31 . . . . 0.0 110.406 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.12 81.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.16 -11.84 48.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 109.825 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.15 19.7 79.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -62.09 -40.84 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.921 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.0 pt -68.22 148.09 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.034 0.445 . . . . 0.0 110.952 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.609 ' HG1' ' NE2' ' A' ' 88' ' ' GLN . 39.4 p -80.46 168.18 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.225 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.73 -38.38 84.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.62 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.24 -40.71 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.071 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.609 ' NE2' ' HG1' ' A' ' 85' ' ' THR . 2.6 mp0 -77.42 -21.79 52.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.288 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.13 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.8 -23.04 62.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.055 0.455 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 93' ' ' LYS . . . -64.35 -14.09 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.629 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -47.05 -20.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.548 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 91' ' ' ALA . 15.6 mmmt -65.16 -11.64 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.735 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.38 -25.89 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.859 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.54 -46.92 83.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.89 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -60.88 -43.23 98.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.441 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.73 -40.82 98.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.06 -43.03 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.482 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.19 -33.63 72.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.78 8.03 46.48 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.4 96.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.991 0.425 . . . . 0.0 110.347 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -87.48 102.62 14.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.28 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -67.61 148.36 51.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -98.75 136.35 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.11 -29.52 47.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.785 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -106.2 135.68 47.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.54 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 42' ' ' GLN . 6.7 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt 63.11 -67.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 40' ' ' THR . 77.7 mt-30 55.38 54.94 7.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.749 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' C ' ' H ' ' A' ' 45' ' ' ALA . 68.9 mttm -61.67 157.02 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.781 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -74.71 6.81 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.621 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 43' ' ' LYS . . . -100.24 -2.5 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.256 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.5 p -63.53 -30.26 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.334 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.8 131.87 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.326 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -152.16 106.37 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.99 -39.91 93.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.94 -3.13 76.98 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.561 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -64.65 -39.42 93.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.297 1.048 . . . . 0.0 110.619 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.46 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.032 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 145.41 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.32 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 56' ' ' LYS . 57.7 t -110.22 129.32 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.4 m -39.87 -23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.537 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 54' ' ' VAL . 26.8 mmtp -62.0 -40.16 94.72 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.237 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.32 -44.65 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.3 -46.76 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.73 -38.94 92.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.743 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -60.8 -47.92 84.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.026 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -67.84 -39.42 83.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.46 -23.98 66.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.705 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.61 -42.2 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.537 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.77 -40.06 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.618 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 69' ' ' LYS . 68.1 m-85 -70.75 -28.31 64.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.1 t -58.85 -41.17 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.809 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.16 -39.74 91.23 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.721 -0.392 . . . . 0.0 109.992 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -86.59 -17.12 34.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 65' ' ' TYR . 20.4 tptp -70.11 -35.69 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.5 m120 57.52 51.02 10.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.317 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.79 -40.12 87.22 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.154 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 57.4 p-10 -152.08 145.88 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.514 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.54 154.11 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.155 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.472 ' HG ' ' H ' ' A' ' 77' ' ' LYS . 82.6 p -81.42 167.94 18.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.744 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.84 -39.78 72.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.905 0.383 . . . . 0.0 110.917 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.472 ' H ' ' HG ' ' A' ' 74' ' ' SER . 68.6 mttm -66.65 -22.32 66.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.419 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -56.08 3.36 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.85 -39.68 39.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.04 90.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.46 -26.58 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.612 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.69 16.52 75.24 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.786 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.3 pt -59.15 174.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.486 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.7 p -72.38 157.36 37.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.26 0.552 . . . . 0.0 111.595 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -70.16 -39.56 75.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.063 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -45.07 95.12 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.218 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.36 -40.15 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.653 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.37 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.2 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.51 -39.86 95.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.121 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.38 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.208 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.89 -39.86 93.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.19 -38.67 92.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -60.74 -43.54 97.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.976 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.62 -46.0 91.92 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.21 -39.16 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.3 -20.57 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -86.15 2.66 87.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.06 -25.0 63.73 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.06 86.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.95 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 100' ' ' GLY . 52.4 p30 -151.14 166.18 31.6 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.897 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.747 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -70.33 144.8 51.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.702 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.75 137.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.917 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -97.5 109.19 21.99 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.849 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.628 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' N ' ' OG1' ' A' ' 40' ' ' THR . 68.4 mttm -62.26 -39.16 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.68 -39.97 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.533 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -60.4 128.73 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.381 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 53.11 31.58 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.34 -59.05 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.5 p -123.2 144.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.899 0.38 . . . . 0.0 110.445 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -66.37 147.09 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.72 26.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.547 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.9 -39.46 94.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.43 -0.75 88.81 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -110.36 -12.05 14.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.44 94.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.977 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.54 134.45 54.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.578 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.13 127.44 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.537 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.87 -42.33 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.83 -41.12 90.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' O ' ' OG ' ' A' ' 60' ' ' SER . 56.0 t -61.27 -43.84 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.75 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.83 -44.66 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.11 -38.88 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.201 0.524 . . . . 0.0 110.619 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 57' ' ' VAL . 89.0 p -62.96 -19.76 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.537 -179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.21 -46.58 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.842 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.94 81.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.588 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.89 -38.83 79.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.61 -31.44 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.497 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 t -60.68 -39.44 88.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.597 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.32 -43.28 88.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.339 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.82 -42.45 97.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.8 -7.92 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.195 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.72 18.08 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.621 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 42.86 62.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.409 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -159.99 161.59 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.17 131.48 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.4 p -82.27 164.54 21.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.73 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.51 -29.92 41.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.1 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.99 -47.44 85.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.282 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' ASP . 62.3 mttp -61.6 -63.99 1.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.611 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 mp -38.43 -68.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.235 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -54.66 -43.09 72.09 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.587 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.14 -28.07 69.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 109.854 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 77' ' ' LYS . 97.0 m-20 -88.86 -3.99 58.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.83 7.4 85.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -62.06 -38.6 89.38 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -124.92 162.09 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.47 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 78.7 p -73.04 149.57 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.542 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.16 -32.48 19.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.427 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.05 -41.61 97.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.071 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.62 -40.46 95.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.692 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.69 -25.07 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.28 80.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.768 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.93 -39.44 85.48 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' O ' ' OD1' ' A' ' 96' ' ' ASN . 64.7 tttm -57.0 -45.11 83.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.694 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -48.93 -25.56 2.0 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.548 0.213 . . . . 0.0 110.914 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -55.54 -48.37 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.341 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 47.9 p-10 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 111.035 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 32.5 t70 -58.73 -28.24 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -58.27 -44.07 88.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -65.37 -33.23 75.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.23 -39.95 97.9 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.313 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.19 3.46 85.57 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.54 77.19 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.091 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 50.6 p30 -115.69 62.88 0.69 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -59.78 -26.95 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -73.4 152.95 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.62 159.38 38.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -102.97 15.77 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.546 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -144.02 128.26 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.116 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 44.65 57.63 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.331 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.51 -41.07 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.889 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -97.47 122.73 40.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.184 0.516 . . . . 0.0 110.603 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.84 87.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' A' ' 46' ' ' VAL . 9.3 p -78.84 91.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.378 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -100.82 150.32 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -108.86 64.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -99.5 5.35 46.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.653 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.39 35.89 59.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.34 -12.16 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.681 0.277 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.148 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.78 147.96 36.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.103 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.454 ' O ' ' CG1' ' A' ' 57' ' ' VAL . 80.8 t -69.66 126.03 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.56 -42.0 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.046 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -56.0 -22.5 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 6.1 p -53.32 -25.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.325 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.2 m -65.02 -21.78 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.696 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.68 -38.28 84.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -62.55 -40.49 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.23 -39.1 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.437 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.408 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.01 -41.96 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.427 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.55 -39.98 92.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.157 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.98 -39.94 95.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.4 t -59.3 -45.02 92.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.23 -39.62 95.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.947 0.404 . . . . 0.0 110.142 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.44 -39.18 93.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -105.94 8.04 32.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 61.8 t30 48.42 44.96 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.38 -39.99 94.99 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.754 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -131.42 123.59 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -153.78 153.99 33.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.45 . . . . 0.0 111.04 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -75.84 154.96 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.741 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.49 -44.13 97.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.53 -44.7 81.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.804 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -66.73 -50.64 62.15 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.873 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mp -38.61 -68.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.261 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -53.27 -36.74 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.6 -37.24 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.728 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -84.82 -10.35 57.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.91 21.68 79.64 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -60.71 -38.39 84.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.793 0.33 . . . . 0.0 110.758 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.4 pt -85.83 169.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.446 ' OG1' ' OE1' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -56.25 126.64 27.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.436 . . . . 0.0 111.089 -178.71 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -72.42 -19.24 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.446 ' OE1' ' OG1' ' A' ' 85' ' ' THR . 58.9 mp0 -60.3 -39.58 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.581 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.23 -39.75 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.491 -0.484 . . . . 0.0 109.846 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.41 88.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.159 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.68 -38.75 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.648 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.51 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.38 . . . . 0.0 110.399 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.77 -45.02 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -59.57 -47.64 84.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.666 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.03 -28.8 64.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.413 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 91.9 t80 -61.64 -48.31 81.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.64 -40.62 95.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.729 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 101' ' ' GLY . 37.2 t70 -62.22 -42.58 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.58 -44.01 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.767 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.413 ' ND2' ' CZ ' ' A' ' 95' ' ' TYR . 98.7 m-20 -84.5 -5.01 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.08 -20.79 8.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' ASP . . . -90.27 -3.13 72.86 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.7 -10.41 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.747 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -61.06 -44.15 97.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.024 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -57.46 138.31 55.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -80.6 -12.61 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.696 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.5 t -119.78 127.55 75.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.83 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 108' ' ' ASP . 57.6 p30 -69.28 -14.79 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.716 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 107' ' ' ASN . 66.1 t0 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -137.0 30.46 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -92.92 174.2 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ALA . 85.0 tttt 61.44 68.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.831 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 38.46 29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.166 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' LYS . . . -62.67 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.543 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.3 t -131.46 130.42 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -89.87 108.59 19.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.324 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -164.83 26.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.47 -40.61 95.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.091 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 63.49 30.92 79.04 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.21 -42.55 95.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.72 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.39 91.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.835 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -93.63 145.51 24.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.444 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.07 121.75 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.03 -32.05 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.76 -46.21 91.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.17 -43.86 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.15 -44.74 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.58 -41.92 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.846 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -42.01 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.47 . . . . 0.0 110.42 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -37.68 87.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.403 ' O ' ' OG ' ' A' ' 66' ' ' SER . 88.5 tt0 -60.85 -41.07 95.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.562 -179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.12 -41.16 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -68.99 -37.81 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.673 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 63' ' ' GLU . 92.5 p -63.07 -37.71 88.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.06 -49.4 65.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.8 97.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -68.02 -38.86 83.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.582 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 72' ' ' ASP . 63.7 t30 52.46 45.64 28.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.43 66.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.575 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 70' ' ' ASN . 35.5 t0 -160.13 147.86 16.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.545 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.1 139.73 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.523 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.0 t -111.96 158.4 19.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.977 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.7 tp -56.15 -45.42 79.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -59.78 -41.55 91.35 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.466 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.69 -46.72 81.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.085 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 65.3 mt -46.61 -48.84 19.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.474 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -58.43 -43.32 88.66 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.83 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.23 66.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -89.71 -3.32 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.061 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.94 78.89 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -63.59 -37.96 89.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.487 0.184 . . . . 0.0 111.29 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -119.81 161.0 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.991 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.9 t -67.2 148.33 51.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -90.65 -25.0 20.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.313 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.26 -42.82 87.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.4 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.613 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -74.36 -43.39 56.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.79 -50.06 69.43 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.821 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.511 ' CZ ' ' OD1' ' A' ' 96' ' ' ASN . 86.3 t80 -59.15 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.52 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.34 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.0 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.97 -41.61 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.558 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -57.71 -51.63 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.153 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.511 ' OD1' ' CZ ' ' A' ' 92' ' ' TYR . 27.1 m120 -61.84 -34.92 76.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -48.58 -31.87 7.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -61.31 -37.86 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 0.0 110.146 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.72 4.03 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.745 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.518 ' O ' ' ND2' ' A' ' 103' ' ' ASN . . . 77.76 1.86 79.3 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -35.49 91.21 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.92 88.38 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.978 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 100' ' ' GLY . 28.7 m120 46.53 -127.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.724 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.56 -42.31 2.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.084 0.469 . . . . 0.0 110.314 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt 56.5 12.81 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.345 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.08 152.6 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.846 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -91.86 4.71 52.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.147 0.499 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.2 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.661 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -89.65 -4.8 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.82 -39.74 95.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 44' ' ' GLU . 50.5 tttm 50.5 36.03 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.468 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' O ' ' O ' ' A' ' 43' ' ' LYS . 98.0 mt-10 57.09 140.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . -88.21 6.73 35.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' O ' ' O ' ' A' ' 45' ' ' ALA . 31.4 m -35.6 156.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.6 170.37 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.174 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.31 146.8 50.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.003 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.97 -40.69 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.4 17.84 70.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -81.62 -5.45 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.01 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.37 149.87 32.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.226 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.75 130.67 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.661 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.8 -42.79 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.119 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.36 -40.85 92.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.882 0.372 . . . . 0.0 111.082 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLU . 53.1 t -61.08 -41.22 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.727 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.3 p -44.6 -19.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.875 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.7 mt-10 -61.98 -40.64 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.55 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.2 p -63.41 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 0.0 110.179 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.37 -27.95 64.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.507 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.52 91.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.76 -44.2 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.454 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 10.1 mp -63.01 -40.28 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.518 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -61.89 -40.8 96.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 86.8 mt -62.73 -41.19 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.95 -39.31 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.524 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -68.45 -33.81 74.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 80.0 m-20 56.97 49.36 14.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.744 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.51 -39.87 89.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.419 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.2 144.93 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.1 p -110.21 162.79 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.23 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 61.0 tp -47.58 -45.41 27.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -60.21 -40.67 90.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.965 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.5 mmtt -70.62 -53.31 16.39 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.4 mt -38.81 -45.39 1.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.479 -178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.7 -41.15 92.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -78.44 -14.98 59.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.57 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.7 m-20 -95.86 6.99 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.593 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.06 2.33 65.63 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.994 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -65.61 -42.58 91.45 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.765 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.46 141.5 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.507 ' HG1' ' H ' ' A' ' 88' ' ' GLN . 80.5 p -114.23 146.86 39.84 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.716 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.605 ' CG ' ' HZ3' ' A' ' 90' ' ' LYS . 88.6 tt0 -62.45 -41.19 98.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.284 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.507 ' H ' ' HG1' ' A' ' 85' ' ' THR . 53.3 tt0 -70.06 -39.45 75.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.632 179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.88 83.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.605 ' HZ3' ' CG ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -66.03 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.697 0.284 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.64 95.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.56 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.86 -47.83 84.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.52 -38.31 86.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.038 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.47 -37.34 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.698 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.02 -46.78 89.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.59 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -60.29 -43.77 95.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.661 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.25 -44.22 97.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.558 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.37 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.63 -33.45 71.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.34 166.62 11.11 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.42 -8.16 86.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.13 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.606 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -98.85 106.62 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.139 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -169.53 159.4 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.345 . . . . 0.0 110.988 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -59.55 151.09 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.328 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.19 131.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.18 138.78 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.91 -5.25 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -171.61 -111.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -137.31 88.03 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.16 -13.98 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.29 98.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.483 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 p -158.43 137.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.452 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -97.73 108.35 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -158.83 100.9 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.647 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -104.67 -49.01 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.04 -0.08 83.69 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.49 -40.88 96.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.24 83.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.56 152.63 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.206 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.1 m -109.54 159.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 0.0 111.162 -179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -69.11 -11.54 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.995 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -61.19 -37.61 83.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.419 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.6 m -52.85 -19.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.0 -43.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.217 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.85 -37.1 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.6 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -60.0 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.85 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.259 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.19 84.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.773 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -38.74 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.405 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.25 -43.98 95.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 109.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.74 -48.28 82.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.2 p -64.86 -24.7 67.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.488 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.12 -41.68 98.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.185 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.49 -40.15 93.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -71.83 -13.37 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.399 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.497 ' OD1' ' NH1' ' A' ' 83' ' ' ARG . 33.1 m120 50.49 46.5 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.47 -42.32 95.98 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.276 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -113.61 102.77 10.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.378 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.82 149.7 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.433 ' HG ' ' H ' ' A' ' 77' ' ' LYS . 83.9 p -80.98 166.4 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.309 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.3 -32.23 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.028 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.91 -40.1 87.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.025 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 98.7 mttt -76.53 -59.24 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mp -38.45 -69.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.715 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -57.51 -41.17 80.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.278 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.59 76.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 11.5 m-20 -85.03 -5.62 59.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.09 15.8 80.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.497 ' NH1' ' OD1' ' A' ' 70' ' ' ASN . 77.2 mtp85 -68.97 -21.63 64.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.0 pt -125.91 158.64 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.916 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -73.95 145.73 44.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.772 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -86.22 -20.4 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.79 -39.99 93.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.327 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.29 -42.05 99.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -31.65 49.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 111.023 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.3 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -59.05 -47.69 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.679 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -58.14 -54.04 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.566 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -57.47 -37.41 72.86 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.318 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -58.21 -49.48 76.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.8 -37.92 86.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.953 0.406 . . . . 0.0 110.234 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -57.15 -40.07 76.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.43 -37.29 82.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.066 0.46 . . . . 0.0 110.033 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -96.17 21.38 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.3 124.64 7.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.82 -14.56 79.94 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.37 92.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.662 0.268 . . . . 0.0 111.102 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -95.3 103.55 15.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.08 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -54.13 -43.21 70.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.104 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -67.66 144.49 55.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.91 161.16 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.821 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.3 t30 45.12 -135.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.569 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -144.18 139.11 28.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.3 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' GLU . 99.1 mm-40 -88.67 -1.12 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.706 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.5 tptm 62.85 -69.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLN . 5.7 mp0 -89.66 89.65 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.777 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.47 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -127.97 161.04 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.254 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.97 135.29 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.51 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -80.57 150.83 29.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -60.67 -41.77 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.833 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.82 60.01 0.81 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.78 -22.57 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.143 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.63 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.57 144.64 36.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.2 m -55.63 137.64 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 111.026 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.14 -18.47 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.817 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.45 -39.44 87.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.3 t -61.36 -44.58 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.186 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -62.44 -42.42 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.681 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.967 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.0 p -64.93 -36.2 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.91 -36.71 84.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.36 87.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' OG ' ' A' ' 66' ' ' SER . 88.5 tt0 -61.47 -39.92 92.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.417 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.31 -43.97 95.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -63.95 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.105 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 63' ' ' GLU . 93.4 p -61.75 -36.31 80.63 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 -179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 3.3 mm? -65.75 -37.49 86.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.42 -38.65 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -88.85 -7.17 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.417 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 97.6 m-20 54.46 46.43 24.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.4 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.26 -38.89 88.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.458 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -91.34 134.51 34.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.41 150.74 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 77' ' ' LYS . 88.6 p -110.4 167.2 10.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mp -40.03 -43.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.421 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -60.26 -39.88 88.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.779 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.512 ' N ' ' O ' ' A' ' 74' ' ' SER . 33.4 mmtp -75.69 -53.78 8.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 tp -36.52 -40.84 0.27 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.282 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.7 -41.16 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.649 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -64.32 -21.1 66.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.83 -7.89 55.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.335 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.02 -0.29 79.57 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.788 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.37 -44.87 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.498 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -108.95 164.57 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.072 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -54.29 132.35 43.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.728 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -83.46 -29.93 27.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.23 -39.39 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.719 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.31 -43.08 99.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.659 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.26 96.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.34 -39.19 89.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.291 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.08 -41.61 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.826 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -65.15 -38.8 91.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 110.163 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.12 -8.99 50.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.956 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.67 -27.77 69.47 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.699 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.73 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.83 -40.8 97.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.562 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.45 -39.78 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.36 -47.16 87.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.264 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -59.6 -35.96 75.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -69.05 -9.35 59.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.1 -19.75 57.28 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.32 91.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.985 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 100' ' ' GLY . 53.0 p30 -155.64 173.71 16.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.21 132.12 54.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.04 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -110.43 35.85 3.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.292 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.1 t -111.77 125.31 69.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -88.46 177.45 6.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.571 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 mttp 53.93 40.21 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.88 -26.92 67.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -154.64 134.64 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.241 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -76.67 135.76 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.66 -0.84 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.504 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.01 164.35 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.656 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.22 147.05 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.62 142.82 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -92.4 2.42 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.0 34.56 61.78 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -60.27 -38.88 84.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.291 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.73 88.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.108 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.78 145.62 55.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 4.6 p -50.41 126.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.729 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.5 -17.58 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.955 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -59.9 -39.81 86.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.407 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.77 -46.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.41 -178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.16 -19.56 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 111.062 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.66 -44.35 93.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.945 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -63.36 -37.58 87.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.184 0.516 . . . . 0.0 110.155 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.14 -38.11 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.188 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.91 95.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.715 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -74.15 -32.27 63.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.725 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.81 -44.6 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -60.4 -48.03 83.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.827 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.7 m -61.06 -42.33 98.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.36 -49.33 69.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.54 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.143 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -77.39 -15.8 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.578 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.5 t-20 53.61 53.73 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.82 -39.22 88.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.3 106.66 8.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 110.729 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.63 125.27 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.417 ' HG ' ' H ' ' A' ' 77' ' ' LYS . 82.5 p -72.22 164.57 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.81 -46.94 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -54.51 -48.67 71.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.165 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.417 ' H ' ' HG ' ' A' ' 74' ' ' SER . 59.3 mtpt -62.7 -48.46 79.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.552 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.7 mp -38.65 -70.48 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.055 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.525 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 24.5 tm0? -56.89 -38.71 73.17 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.784 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.27 66.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.1 t0 -94.56 2.91 55.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.2 14.07 82.96 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.92 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -62.11 -39.6 93.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.877 0.338 . . . . 0.0 111.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.98 159.53 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.329 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 88' ' ' GLN . 72.6 p -74.44 154.88 38.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.137 0.494 . . . . 0.0 111.274 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.525 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 99.6 mt-10 -92.89 -31.46 14.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.624 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.61 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.83 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 85' ' ' THR . 26.0 pt20 -57.66 -41.19 81.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.717 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.32 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.591 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -67.58 -52.37 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.811 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.59 86.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.246 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.22 -42.32 94.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.8 -41.67 82.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -49.62 -31.9 11.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.927 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.36 -48.19 79.68 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.735 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.75 -36.84 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.688 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -56.75 -37.48 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.611 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.21 -38.15 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.114 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -92.38 8.91 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.03 24.52 73.18 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.814 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.38 -40.81 99.16 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.81 95.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.537 ' C ' ' H ' ' A' ' 105' ' ' LYS . 65.9 t30 -61.01 -32.31 71.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.343 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 71.48 -18.18 0.3 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.707 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.537 ' H ' ' C ' ' A' ' 103' ' ' ASN . 72.3 mmtt -100.17 82.49 2.54 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.64 157.85 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.52 144.63 37.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.431 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.4 p30 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.616 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 40' ' ' THR . 10.1 tptp 73.87 9.83 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.54 -40.14 95.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 57.45 -119.86 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.298 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.76 102.41 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.532 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.62 -0.79 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.618 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -67.22 -17.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -88.07 115.34 25.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.397 . . . . 0.0 110.63 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -91.04 179.66 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.47 -38.86 92.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.214 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.47 -0.89 75.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -61.8 -41.14 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.038 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 -22.85 64.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.33 34.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.336 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 97.1 t -77.19 126.98 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.54 -25.13 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.222 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.401 ' C ' ' N ' ' A' ' 58' ' ' VAL . 12.1 tptm -56.68 -28.02 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.382 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.02 -19.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 56' ' ' LYS . 35.7 m -55.3 -18.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -40.03 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.758 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.28 -41.63 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.064 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.89 -37.21 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.377 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -39.13 91.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.35 -41.06 92.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.076 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 91.7 t80 -58.62 -47.42 84.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.4 m -61.0 -39.43 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.71 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.92 -39.05 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.617 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -61.52 -38.45 87.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.514 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.9 mmtp -90.18 -2.07 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.78 49.03 21.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -117.62 106.09 12.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.15 121.86 44.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.667 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.8 p -74.13 171.14 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.99 -48.25 80.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -57.09 -40.2 76.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.611 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -64.47 -52.76 56.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mp -38.99 -63.39 0.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.018 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.1 tm0? -57.95 -39.28 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.2 -35.36 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.4 t0 -88.33 3.45 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.271 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.76 78.62 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.89 -31.78 73.08 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.05 160.0 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.898 0.38 . . . . 0.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -70.05 147.48 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 99.1 mt-10 -90.23 -18.6 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.66 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.98 -42.71 99.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.13 -39.2 93.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.232 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.71 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -82.66 -28.41 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.4 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.44 80.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.818 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.99 -46.44 88.15 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.12 -47.86 81.98 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.421 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -59.08 -37.71 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.31 -0.156 . . . . 0.0 111.028 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -58.09 -49.16 77.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.992 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.447 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 67.2 m-80 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.208 0.528 . . . . 0.0 110.352 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 54.9 t0 -43.09 -28.27 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.496 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.3 -46.31 90.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.837 0.351 . . . . 0.0 110.53 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 96' ' ' ASN . 13.3 p-10 -93.06 5.35 51.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.245 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.38 8.25 54.93 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.4 4.77 85.24 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.5 92.01 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.456 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -152.37 173.59 14.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.552 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -115.2 66.35 0.69 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.02 2.54 56.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.28 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.704 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -146.42 178.0 8.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.704 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.496 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -154.97 167.28 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.1 147.82 52.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.486 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -127.24 144.96 50.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -88.77 0.59 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.272 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.29 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.0 m -49.08 147.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.08 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -100.1 114.02 27.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 111.231 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.1 t0 44.74 50.74 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.113 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -59.83 -46.33 89.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.19 0.38 89.63 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.73 84.96 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.656 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.29 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.626 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.24 149.99 44.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -96.34 132.43 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.8 m -44.55 -36.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.198 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -65.5 -38.99 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 59' ' ' GLU . 61.6 t -61.88 -40.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.713 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.0 p -39.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.131 -178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 mt-10 -61.42 -40.45 94.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.8 p -63.5 -36.78 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 109.97 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -66.57 -28.16 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.527 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.69 81.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.99 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.68 -25.4 26.89 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.401 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -44.27 97.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.04 -47.77 84.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.55 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.08 -43.17 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 60.3 tp -60.95 -45.5 94.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.069 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.84 -37.71 88.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.593 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -68.88 -36.91 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 32.9 m120 58.56 50.47 9.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.65 -39.14 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.896 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -150.31 115.85 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.76 158.97 44.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.547 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.553 ' HG ' ' N ' ' A' ' 75' ' ' LEU . 38.5 t -110.28 156.85 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.789 179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.553 ' N ' ' HG ' ' A' ' 74' ' ' SER . 8.5 mp -66.04 -13.78 60.54 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.466 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.49 -35.76 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.416 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.76 -25.19 67.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -88.88 -44.1 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -52.02 -35.13 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.611 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.12 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.478 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -76.27 -19.31 58.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 109.674 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.15 81.18 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.353 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.74 -39.74 95.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.395 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 pt -84.76 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.062 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.54 129.97 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.3 -13.43 46.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.061 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -69.84 -33.2 71.97 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.202 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.62 -27.62 67.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.269 0.557 . . . . 0.0 110.015 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.13 89.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 2.6 mptp? -60.59 -41.58 95.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.02 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.487 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -60.22 -46.88 88.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.293 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -60.37 -38.48 84.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.953 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.74 -39.37 88.45 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.961 -0.295 . . . . 0.0 111.531 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -59.32 -41.32 88.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.667 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -60.98 -43.46 98.8 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.06 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.39 -46.55 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -63.14 -39.09 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 0.0 109.938 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.57 -7.35 54.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.614 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.56 168.05 54.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.97 6.99 73.28 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.02 4.9 21.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.885 0.374 . . . . 0.0 110.485 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.2 133.56 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -70.5 160.97 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.713 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.525 ' C ' ' H ' ' A' ' 107' ' ' ASN . 57.1 mtmt 51.88 -166.2 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 t 47.63 12.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.657 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.525 ' H ' ' C ' ' A' ' 105' ' ' LYS . 98.9 m-20 -72.96 -13.7 61.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.683 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.558 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -52.32 152.29 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.1 167.12 11.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 60.22 65.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -62.69 164.34 7.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.176 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.11 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.912 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.45 124.69 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.818 0.342 . . . . 0.0 110.437 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 48' ' ' ASP . 55.7 p30 -85.42 179.03 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -173.62 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.336 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.95 1.52 88.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.16 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.95 84.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.38 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.76 143.75 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.4 t -70.14 135.11 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.023 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -39.78 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -58.46 -39.4 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.306 -179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.58 -42.1 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.12 -19.35 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.28 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -48.22 -20.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.666 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.342 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.43 -28.03 68.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.305 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.53 83.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.964 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.21 95.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.456 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' A' ' 64' ' ' LEU . 8.0 mp -62.83 -39.34 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.425 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.654 ' HH ' ' NZ ' ' A' ' 69' ' ' LYS . 89.5 t80 -59.51 -48.48 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.56 -42.57 99.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 110.423 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.91 -43.72 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.369 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.26 -42.35 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.654 ' NZ ' ' HH ' ' A' ' 65' ' ' TYR . 29.4 mmtp -85.2 -5.62 59.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 54.86 49.58 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.162 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -83.85 0.84 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.759 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 48.3 p-10 -160.14 130.9 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.031 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.0 158.53 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.562 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -82.9 159.95 22.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.82 -45.81 50.47 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -60.06 -42.97 95.64 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.356 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 80' ' ' ALA . 98.7 mttt -67.84 -50.34 57.17 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.75 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 mp -38.8 -44.34 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.753 -179.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.46 -41.89 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.475 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -77.09 -13.0 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.612 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.39 5.71 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.193 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.28 -0.94 78.31 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.222 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.0 -41.82 95.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.477 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 37.3 pt -135.78 142.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.49 ' HG1' ' H ' ' A' ' 88' ' ' GLN . 72.9 p -113.8 138.2 50.6 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.003 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.75 -40.84 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.19 -43.56 98.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.574 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.49 ' H ' ' HG1' ' A' ' 85' ' ' THR . 64.3 tt0 -66.51 -40.37 89.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.778 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.31 82.27 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.504 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -54.16 -35.18 61.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.931 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.2 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.29 -47.48 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -59.89 -39.15 84.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.45 -38.39 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -57.57 -44.65 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.6 -42.39 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.468 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.458 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 34.4 t70 -58.73 -34.97 71.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.152 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.21 -5.48 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 97' ' ' ASP . 62.6 t-20 -62.0 -34.51 76.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.374 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.11 152.49 20.38 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 104' ' ' ARG . . . -90.22 -1.41 75.57 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.27 91.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.556 . . . . 0.0 110.113 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' CB ' ' OD1' ' A' ' 97' ' ' ASP . 30.2 m120 -70.53 -36.36 73.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.64 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.499 ' NH1' ' ND2' ' A' ' 107' ' ' ASN . 17.3 ptm180 -156.79 175.42 14.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.712 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -75.43 -177.29 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.443 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.474 ' O ' ' N ' ' A' ' 108' ' ' ASP . 12.9 p -55.75 -38.76 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.499 ' ND2' ' NH1' ' A' ' 104' ' ' ARG . 55.5 t30 64.56 -68.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 106' ' ' VAL . 65.3 t0 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -89.86 5.63 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.535 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.521 ' NE2' ' OE2' ' A' ' 44' ' ' GLU . 64.8 tt0 -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' NZ ' ' OD1' ' A' ' 48' ' ' ASP . 23.9 mtpp 54.57 55.79 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 42' ' ' GLN . 48.0 mm-40 -57.59 -102.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.839 0.352 . . . . 0.0 110.598 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.36 -2.31 57.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.22 127.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 0.0 110.661 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -95.29 143.79 26.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.465 ' OD1' ' NZ ' ' A' ' 43' ' ' LYS . 98.8 m-20 -62.89 155.99 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.435 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -59.03 -40.23 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.975 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.36 44.17 5.05 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.432 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.09 -38.83 87.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.39 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 158.31 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.8 t -57.67 129.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.862 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -80.17 -24.31 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.26 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.36 -42.68 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.71 -36.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.518 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.651 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.55 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.0 p -64.72 -37.17 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.166 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.62 -37.6 88.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.75 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.24 86.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -43.95 95.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.169 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.47 -43.21 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 109.966 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.61 -46.02 91.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.585 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.27 -43.52 98.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -39.96 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -69.05 -22.73 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.464 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.34 45.37 25.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.32 -38.44 89.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.56 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.13 99.72 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -75.55 176.01 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.563 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.29 -49.02 75.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -52.52 -44.1 65.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.61 -51.46 67.22 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 mp -39.02 -64.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.431 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -55.3 -37.72 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.64 -26.59 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.252 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.85 2.19 53.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.155 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.95 15.88 79.89 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -62.97 -36.07 82.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.421 0.153 . . . . 0.0 111.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.1 pt -125.92 165.15 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.762 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.491 ' HG1' ' CG ' ' A' ' 88' ' ' GLN . 71.4 p -68.91 136.6 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.209 0.528 . . . . 0.0 111.324 -179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.611 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.52 -39.55 93.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.796 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.491 ' CG ' ' HG1' ' A' ' 85' ' ' THR . 98.2 mm-40 -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.901 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.9 85.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.023 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -80.52 -21.67 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.138 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.02 -38.58 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 111.007 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.48 -45.15 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.557 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -49.32 -25.81 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.624 0.249 . . . . 0.0 110.865 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -53.3 -47.53 69.13 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.11 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 53.8 p30 -50.91 -23.19 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.037 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 53.3 t0 -58.89 -21.21 57.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.26 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -59.86 -37.92 80.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.273 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -61.71 -33.82 74.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.9 -2.35 84.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -90.66 5.54 82.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.7 94.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.969 0.414 . . . . 0.0 110.434 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -47.29 -68.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.926 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.16 71.97 0.43 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.257 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' VAL . 57.6 mtpt -90.45 -4.79 56.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.028 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' LYS . 0.8 OUTLIER 31.17 68.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.368 0.418 . . . . 0.0 111.695 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -85.2 179.84 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.606 179.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -152.07 135.81 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.081 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -95.53 99.09 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.692 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -104.78 125.69 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -92.47 99.93 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.145 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.27 99.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.19 159.36 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -79.46 155.1 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 13.8 p-10 -142.97 -65.72 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.75 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.51 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 98.2 mttt -62.71 -39.94 95.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 66.13 25.38 72.2 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -62.15 -29.09 70.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.89 99.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.202 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -111.05 153.99 24.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 99.8 t -93.42 119.63 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.405 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.4 -25.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.418 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -59.94 -39.68 86.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.5 m -60.59 -39.01 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.3 p -79.44 -29.26 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.832 -178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -43.95 96.67 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.662 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.2 p -66.35 -35.44 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.052 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -64.12 -37.45 87.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.4 96.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.26 -41.65 96.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.194 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.99 -41.21 95.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.841 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.11 -49.02 79.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.5 p -65.65 -39.17 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.68 -45.43 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.39 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.25 -22.58 61.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.746 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 60.06 60.25 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.309 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.38 -38.08 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 65.5 t0 -49.99 143.64 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -48.08 110.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -91.22 174.16 7.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 mt -82.46 -24.59 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -61.41 -40.51 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 -61.36 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.153 0.501 . . . . 0.0 109.986 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -38.73 -68.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.582 HE22 ' CB ' ' A' ' 89' ' ' ALA . 53.2 tt0 -55.51 -41.92 73.78 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.76 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.86 -37.41 79.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.461 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.59 -2.46 50.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.426 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.54 16.15 80.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -62.23 -38.07 87.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.17 159.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.474 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -65.86 145.71 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -87.0 -33.96 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.368 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -57.67 -34.33 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.643 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.52 -43.38 97.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.582 ' CB ' HE22 ' A' ' 79' ' ' GLN . . . -63.04 -40.75 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -59.62 -38.34 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.78 -44.67 28.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.806 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.04 -47.13 86.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.487 0.66 . . . . 0.0 109.688 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.07 -12.34 26.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.377 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.51 -29.42 70.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.429 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -63.36 -42.95 98.92 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.413 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -64.83 -41.01 96.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.63 -38.67 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.351 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.48 -45.43 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.42 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 99' ' ' ASN . 19.0 t-20 -88.76 -3.8 58.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.282 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.18 157.06 32.49 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.07 -40.3 98.74 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.98 -17.28 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.605 0.24 . . . . 0.0 111.234 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -60.69 -44.69 96.24 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.918 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.37 160.41 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.376 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 38.92 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.95 150.85 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.418 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 108' ' ' ASP . 30.5 m120 56.71 29.93 16.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.958 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 107' ' ' ASN . 94.2 m-20 . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.173 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -91.76 126.03 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 52.89 -165.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -151.47 158.6 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -72.91 147.63 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.622 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.312 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 ' CG2' ' H ' ' A' ' 47' ' ' ASN . 14.6 p -94.24 172.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.475 ' H ' ' CG2' ' A' ' 46' ' ' VAL . 54.0 p30 -76.73 -179.62 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.469 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -168.36 156.35 8.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -75.51 5.08 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.45 7.13 52.21 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.92 -39.62 90.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.113 0.482 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.91 -32.73 69.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.558 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.38 141.1 12.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.279 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.462 ' O ' ' CG1' ' A' ' 57' ' ' VAL . 93.2 t -87.45 123.29 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.46 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.64 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.587 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.91 -18.9 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.02 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 9.8 p -48.83 -24.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.33 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.28 -21.61 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.059 0.457 . . . . 0.0 110.352 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.88 -35.48 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.7 p -59.16 -32.4 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.84 -40.72 98.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 109.918 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.59 -36.04 75.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.018 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.09 -40.28 89.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -67.85 -35.81 79.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 110.325 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ASN . 75.4 m -61.79 -37.64 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.314 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.52 -39.72 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.786 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.16 -38.15 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.796 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.35 -20.67 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 109.869 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' SER . 55.1 t30 51.43 24.85 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 42.83 17.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASN . 29.5 t0 -161.2 161.39 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -143.78 145.98 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.291 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.441 ' OG ' ' N ' ' A' ' 75' ' ' LEU . 41.8 t -63.77 -170.61 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 111.222 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' N ' ' OG ' ' A' ' 74' ' ' SER . 7.5 mp -90.48 -41.96 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.782 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.72 -43.77 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 81' ' ' ASP . 57.4 mtmt -64.55 -52.73 56.18 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.667 -0.813 . . . . 0.0 108.914 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mp -39.95 -59.9 1.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.858 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.98 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.61 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -21.32 63.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.9 m-20 -93.79 5.74 50.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.315 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.96 88.36 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.675 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -63.01 -39.93 96.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 109.942 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.1 pt -135.45 140.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.562 ' H ' HE21 ' A' ' 88' ' ' GLN . 71.0 p -115.14 131.61 56.87 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.637 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.2 -41.25 96.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.385 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.562 HE21 ' H ' ' A' ' 85' ' ' THR . 2.6 pt20 -89.47 -19.93 24.5 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.993 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.3 89.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.733 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -74.84 -21.11 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.757 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.11 -48.07 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.14 -40.78 95.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.967 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -36.31 83.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.265 . . . . 0.0 111.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.11 -38.46 91.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.78 -40.67 96.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -64.54 -44.0 92.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.54 -42.87 99.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.753 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.1 -30.46 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.446 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.47 88.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.24 -7.34 67.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.22 86.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.0 110.615 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -79.88 108.02 13.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 106' ' ' VAL . 99.8 mtt180 -131.72 161.33 33.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.501 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -60.07 69.14 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.14 0.495 . . . . 0.0 111.103 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 104' ' ' ARG . 72.7 t -70.16 -40.28 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.545 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -77.83 -173.15 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.717 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.596 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.95 -28.16 64.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.344 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -71.05 -25.41 62.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.419 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 58.41 36.03 25.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.11 150.63 40.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.225 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.71 27.48 1.75 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.472 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -26.83 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -79.79 -179.77 7.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.208 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 49' ' ' LYS . 65.8 t0 -60.56 136.52 58.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 98.9 mttt -71.88 -11.63 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.703 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.19 24.41 8.98 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.755 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.99 -5.53 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.71 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.3 142.65 42.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.481 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -111.75 160.79 10.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.877 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.403 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 34.3 m -65.81 -21.68 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.86 -31.53 72.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.437 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.6 p -49.06 -21.42 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' A' ' 55' ' ' VAL . 31.0 m -60.83 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.46 -39.12 89.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -60.93 -42.07 97.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -63.41 -28.61 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.36 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.555 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.9 -39.2 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.7 -41.13 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.142 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -59.04 -47.2 86.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.645 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 m -60.91 -39.6 90.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.228 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.9 -43.44 98.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.849 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.69 -39.16 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -68.86 -18.62 64.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.182 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 56.32 40.75 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -84.09 58.06 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -80.26 166.89 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 158.06 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.421 ' H ' ' CE ' ' A' ' 77' ' ' LYS . 38.1 t -84.31 171.32 12.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 74' ' ' SER . 8.3 mp -75.02 -17.58 60.48 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.453 179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -85.61 -34.5 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.729 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' CE ' ' H ' ' A' ' 74' ' ' SER . 56.0 mtmt -70.71 -19.82 62.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.66 -45.89 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -52.93 -36.48 59.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.37 86.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.971 -0.691 . . . . 0.0 109.251 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -73.86 -24.32 59.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.63 178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.21 17.42 80.01 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.08 -39.89 96.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.1 pt -57.29 168.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.8 t -61.3 143.83 54.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 111.248 -179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.65 -37.49 86.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.4 -39.82 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.504 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -62.24 -40.03 94.83 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.701 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.37 94.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -59.81 -43.3 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.322 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.98 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.124 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.15 -47.51 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.55 -41.29 94.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.232 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.57 -39.1 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.452 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE2' ' ND2' ' A' ' 99' ' ' ASN . 89.5 t80 -59.09 -46.55 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.683 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.42 -41.85 94.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.11 -41.61 97.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -65.14 -22.14 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' CE2' ' A' ' 95' ' ' TYR . 98.8 m-20 -87.21 -3.81 59.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.68 120.01 5.03 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.5 2.58 65.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.74 99.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.061 0.458 . . . . 0.0 110.15 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 54.5 t30 55.23 -178.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.175 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -102.14 -90.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.63 24.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.832 0.349 . . . . 0.0 110.713 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.3 p -137.74 138.81 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.768 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.579 179.91 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -133.48 141.32 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.298 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -131.79 122.22 25.43 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -75.13 -12.2 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.552 ' C ' ' H ' ' A' ' 46' ' ' VAL . 77.7 mm-40 56.12 66.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.18 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.12 29.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.229 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.552 ' H ' ' C ' ' A' ' 44' ' ' GLU . 33.9 m -102.23 8.0 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.992 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.13 157.68 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.861 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.16 0.76 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.513 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.13 -39.43 90.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.296 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.56 3.3 88.48 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.71 -42.7 97.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.64 86.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.52 141.84 46.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 57' ' ' VAL . 94.4 t -110.59 131.42 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.603 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.39 -41.81 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -62.86 -21.64 66.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 54' ' ' VAL . 4.1 p -50.3 -19.87 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 0.0 110.192 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.41 -43.12 93.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.939 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.78 -41.98 92.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.698 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -64.4 -39.69 94.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.492 . . . . 0.0 109.689 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -62.04 -37.11 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.91 91.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.53 -42.19 98.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.104 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.11 -40.98 95.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.98 -47.64 84.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.228 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.3 m -60.26 -42.34 95.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.959 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.75 -38.9 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.83 -41.26 97.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -89.48 -11.2 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.9 t30 50.92 18.72 0.55 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' ASN . 78.4 mm-40 36.17 -114.8 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.66 92.63 1.86 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.99 149.38 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.423 ' HG ' ' N ' ' A' ' 75' ' ' LEU . 35.8 t -79.99 164.53 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.846 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -62.3 -41.11 98.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.03 -39.32 83.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.759 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.23 -19.42 64.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.596 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 92.3 mt -91.01 -59.19 2.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -56.68 -36.19 69.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.706 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.8 84.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -81.46 -28.52 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.368 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.16 76.1 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.554 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.56 -44.95 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.04 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.71 -179.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 0.0 111.361 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.42 135.15 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.647 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -68.06 -39.88 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.19 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.07 -39.82 93.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.351 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.04 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.23 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.97 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.896 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.13 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -60.29 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.604 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -61.45 -41.94 97.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.418 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.98 0.419 . . . . 0.0 110.461 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 91.4 t80 -60.78 -46.34 90.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.48 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -61.84 -40.99 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.49 -45.55 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.3 -44.71 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.584 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.503 ' OD1' ' CZ ' ' A' ' 95' ' ' TYR . 32.7 m120 -71.43 -19.94 62.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.95 -173.19 18.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.57 4.97 31.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.29 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 58.19 15.04 3.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.335 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -106.83 -30.88 8.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -84.49 154.71 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.982 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t 73.47 52.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.972 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -95.17 16.49 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.04 0.448 . . . . 0.0 110.163 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.509 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.16 -40.59 96.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.69 -15.98 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.419 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.4 tptt 40.06 -144.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.292 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -140.73 129.46 22.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.344 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.47 96.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.9 t -109.43 122.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.275 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -85.33 162.0 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.259 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.67 135.77 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -96.29 -4.57 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.542 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.63 7.29 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -100.16 24.46 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.08 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.29 -23.35 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.696 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.77 140.23 42.67 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 56' ' ' LYS . 95.4 t -72.1 139.23 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 111.078 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.01 -9.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.064 -179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' H ' ' C ' ' A' ' 54' ' ' VAL . 23.3 pttp -49.52 -27.97 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.873 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.62 -46.33 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 109.879 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.47 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.676 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.87 -39.86 90.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.571 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.4 m -61.96 -40.07 94.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.82 -29.5 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.68 -9.73 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.766 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.0 -42.31 99.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.89 -41.01 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.405 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.58 -48.95 79.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.369 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -63.96 -39.19 93.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.739 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -46.24 90.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.761 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.61 97.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.243 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -68.36 -40.35 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.274 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ASP . 53.8 t30 51.7 24.98 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 39.91 21.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.124 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.3 m-20 -96.2 138.92 33.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.511 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 154.28 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.233 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.512 ' HG ' ' N ' ' A' ' 75' ' ' LEU . 43.7 t -85.45 161.59 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.106 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.512 ' N ' ' HG ' ' A' ' 74' ' ' SER . 9.7 mp -70.75 -17.83 62.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.355 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -84.05 -37.06 22.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -70.73 -18.91 62.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.363 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.03 -57.57 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.6 tm0? -49.28 -26.29 2.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.74 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.58 -16.64 61.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.307 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.32 6.76 80.74 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.43 -35.7 81.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.33 157.86 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.32 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.2 p -79.46 158.04 27.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.159 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 51.6 mp0 -81.03 -36.94 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.705 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -68.06 -37.66 81.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -65.06 -41.0 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.12 81.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -82.79 -25.89 32.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 0.0 110.214 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.76 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.992 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.34 -46.9 87.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.917 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.58 -47.72 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.43 -39.01 85.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.656 0.265 . . . . 0.0 111.269 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -58.37 -49.05 78.62 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.322 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -61.57 -42.79 99.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.253 0.549 . . . . 0.0 110.181 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 60.1 t0 -45.15 -31.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.642 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -61.84 -38.93 90.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.91 0.386 . . . . 0.0 110.2 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.83 13.55 32.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 41.63 46.31 4.69 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.08 -23.81 62.25 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.99 -66.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.902 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.8 t30 54.26 49.65 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 59.98 -170.84 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.645 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -129.97 10.83 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 107' ' ' ASN . 7.4 p -52.34 -44.04 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.456 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.464 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 29.2 t-20 -82.39 118.35 23.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.084 0.469 . . . . 0.0 110.692 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.608 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -162.72 147.63 11.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.041 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -79.54 -14.49 58.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.345 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 52.18 67.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.77 -38.61 78.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.95 154.93 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.384 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -81.84 -179.33 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -150.67 168.24 24.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -103.61 5.84 36.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 75.98 21.6 75.91 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -61.63 -39.23 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.576 0.226 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.71 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.63 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -110.88 115.43 29.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.381 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 m -110.76 119.76 60.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.0 -41.89 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.323 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.87 -15.9 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.982 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.0 p -49.27 -34.46 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.587 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.6 m -78.33 -32.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.692 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.31 -40.28 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.3 p -62.41 -39.29 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.973 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.283 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.25 94.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.744 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.36 -39.58 94.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.371 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -46.28 90.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.66 -48.58 81.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -63.2 -39.34 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.84 -50.64 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.255 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.25 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.4 -41.5 89.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.102 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 27.6 t-20 53.25 23.13 3.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 39.68 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ASN . 68.2 m-20 -123.16 130.8 53.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.77 142.74 44.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.833 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.521 ' HG ' ' H ' ' A' ' 77' ' ' LYS . 80.3 p -80.49 170.09 16.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.593 -179.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.9 mp -65.7 -20.45 66.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.112 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.54 -28.8 30.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 0.0 109.995 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.521 ' H ' ' HG ' ' A' ' 74' ' ' SER . 64.0 mmtt -67.98 -28.79 67.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.315 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.3 -48.18 7.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.05 -33.64 65.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.086 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.28 87.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.99 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.61 14.84 77.29 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -61.67 -39.38 91.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -122.82 160.19 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.231 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.4 t -70.93 150.13 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -81.77 -28.4 33.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.502 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.3 -38.7 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.812 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.7 -179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.67 93.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.81 -37.32 81.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.15 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.561 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -62.08 -46.81 87.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.589 . . . . 0.0 109.686 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.34 -24.72 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.6 -34.23 76.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.517 ' CE2' ' ND2' ' A' ' 99' ' ' ASN . 90.3 t80 -58.81 -46.27 88.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.398 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.28 -40.52 86.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.33 -41.6 93.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.588 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.52 -40.17 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.099 0.476 . . . . 0.0 109.957 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' ND2' ' CE2' ' A' ' 95' ' ' TYR . 68.3 m-80 -69.75 -9.52 54.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.628 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 132.57 161.1 9.83 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.3 -40.37 98.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.64 -70.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.38 51.58 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 105' ' ' LYS . 91.8 mtm180 -59.78 149.15 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.044 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 104' ' ' ARG . 99.4 mttt -31.69 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.737 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.61 -44.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 104' ' ' ARG . 98.6 m-20 -72.13 150.69 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.407 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.462 179.75 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 43' ' ' LYS . 2.3 m . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.43 -44.2 95.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.261 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -72.26 -37.1 69.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' THR . 98.8 mttt -133.67 145.31 49.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.315 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -121.02 134.03 55.28 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.459 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.3 89.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.3 t -99.08 91.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.76 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -101.82 110.49 22.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.51 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.37 101.95 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.68 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -90.78 -14.33 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.357 . . . . 0.0 110.366 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.55 19.53 73.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -61.11 -39.08 88.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.75 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.227 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.8 143.18 58.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.504 ' C ' ' H ' ' A' ' 56' ' ' LYS . 94.6 t -73.92 138.85 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.496 . . . . 0.0 110.743 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 11.4 p -49.08 -8.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.987 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 54' ' ' VAL . 26.3 pttm -52.82 -14.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.039 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.82 -46.0 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.242 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.3 m -75.33 -25.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.879 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.99 -42.35 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.062 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.7 m -65.5 -40.41 93.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.067 0.46 . . . . 0.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 65' ' ' TYR . 1.1 tm0? -63.89 -36.05 82.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.12 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.436 ' O ' ' OG ' ' A' ' 66' ' ' SER . 98.8 mt-10 -60.88 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.643 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.53 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 61' ' ' GLN . 21.3 m-85 -64.18 -39.47 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 70' ' ' ASN . 92.6 p -62.37 -36.67 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.586 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 60.7 tp -62.07 -46.47 88.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.205 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -64.36 -40.65 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -76.89 -28.12 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 33.0 m120 58.62 21.86 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.905 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 43.48 34.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -158.96 160.14 35.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 144.47 56.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 81.6 p -83.48 173.77 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.194 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.77 -37.46 86.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.83 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -67.78 -39.78 84.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.296 -0.561 . . . . 0.0 109.58 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.43 -21.22 62.84 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.464 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.1 -63.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -48.85 -38.73 23.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.38 90.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.218 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.57 -23.69 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.71 5.96 58.5 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.484 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -36.89 84.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.947 0.373 . . . . 0.0 111.523 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 pt -115.97 155.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.989 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 p -79.31 160.32 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -90.44 -40.49 12.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.958 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.71 -35.15 78.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.919 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.4 -43.78 98.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.938 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.64 83.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.168 0.509 . . . . 0.0 110.459 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -73.64 -50.87 18.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.76 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.22 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -59.37 -44.74 92.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.06 -40.75 81.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 98.5 mt-10 -58.58 -36.3 73.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.018 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.06 -44.78 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.492 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 98' ' ' LYS . 28.2 m120 -61.94 -38.45 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.437 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -41.12 -19.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -59.45 -18.64 41.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -104.47 -3.56 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.225 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.49 -174.49 40.17 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.45 7.64 77.66 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.36 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.586 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -73.62 -179.72 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.989 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -65.43 152.13 44.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.218 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -111.45 147.08 36.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.88 -57.44 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -105.37 -18.17 14.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.689 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.5 p . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 121.26 0.553 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 58' ' ' VAL . 68.2 t -66.23 -39.06 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.622 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.46 -20.82 58.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.061 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.2 p -51.74 -41.29 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.997 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' HG13 ' A' ' 57' ' ' VAL . 6.2 p -74.78 -30.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.37 96.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.96 -42.4 99.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.852 0.358 . . . . 0.0 110.629 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.66 -28.23 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.65 87.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.471 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.17 96.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 64' ' ' LEU . 8.8 mp -62.3 -39.19 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.385 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.94 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -62.88 -40.0 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 59.9 tp -61.39 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.38 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.98 -36.95 83.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -82.59 -21.06 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.57 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 81.0 m-20 53.15 40.49 31.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 72.8 mm-40 -63.04 -40.84 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.705 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 71' ' ' GLU . 99.1 m-20 -139.91 132.47 28.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.08 142.47 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.2 p -73.58 165.53 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.612 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.22 -47.58 83.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -50.06 -50.56 47.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.095 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.74 -48.45 79.15 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.188 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.592 HD23 ' CG2' ' A' ' 84' ' ' ILE . 2.0 mp -39.89 -67.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.983 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.01 -38.59 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.751 0.31 . . . . 0.0 110.406 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.12 81.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.16 -11.84 48.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 109.825 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.15 19.7 79.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -62.09 -40.84 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.921 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.592 ' CG2' HD23 ' A' ' 78' ' ' LEU . 19.0 pt -68.22 148.09 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.034 0.445 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.4 p -80.46 168.18 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.225 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.73 -38.38 84.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.62 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.24 -40.71 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.071 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -77.42 -21.79 52.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.288 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.13 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.8 -23.04 62.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.055 0.455 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.35 -14.09 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.629 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.548 -178.858 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 56' ' ' LYS . 57.7 t . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.811 0.338 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.4 m -39.87 -23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.537 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.598 ' H ' HG12 ' A' ' 54' ' ' VAL . 26.8 mmtp -62.0 -40.16 94.72 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.237 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.32 -44.65 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.3 -46.76 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.73 -38.94 92.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.743 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -60.8 -47.92 84.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.026 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -67.84 -39.42 83.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.46 -23.98 66.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.705 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.61 -42.2 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.537 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.77 -40.06 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.618 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' LYS . 68.1 m-85 -70.75 -28.31 64.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.1 t -58.85 -41.17 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.809 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.16 -39.74 91.23 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.721 -0.392 . . . . 0.0 109.992 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -86.59 -17.12 34.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' TYR . 20.4 tptp -70.11 -35.69 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.5 m120 57.52 51.02 10.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.317 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.79 -40.12 87.22 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.154 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 57.4 p-10 -152.08 145.88 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.514 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.54 154.11 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.155 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.6 p -81.42 167.94 18.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.744 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.84 -39.78 72.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.905 0.383 . . . . 0.0 110.917 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.65 -22.32 66.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.419 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -56.08 3.36 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.85 -39.68 39.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.04 90.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.46 -26.58 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.612 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.69 16.52 75.24 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.786 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.3 pt -59.15 174.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.486 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.7 p -72.38 157.36 37.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.26 0.552 . . . . 0.0 111.595 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -70.16 -39.56 75.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.063 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -45.07 95.12 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.218 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.36 -40.15 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.653 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.37 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.2 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.51 -39.86 95.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.121 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.38 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.208 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.542 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.46 0.07 0 CA-C-O 120.879 0.371 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.87 -42.33 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.83 -41.12 90.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.27 -43.84 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.83 -44.66 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.11 -38.88 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.201 0.524 . . . . 0.0 110.619 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.0 p -62.96 -19.76 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.537 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.21 -46.58 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.842 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.94 81.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.588 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.89 -38.83 79.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.61 -31.44 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.497 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 t -60.68 -39.44 88.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.597 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.32 -43.28 88.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.339 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.82 -42.45 97.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.8 -7.92 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.195 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.72 18.08 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.621 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 42.86 62.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.409 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -159.99 161.59 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.17 131.48 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.4 p -82.27 164.54 21.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.73 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.51 -29.92 41.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.1 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.99 -47.44 85.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.282 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' ASP . 62.3 mttp -61.6 -63.99 1.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.611 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 mp -38.43 -68.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.235 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -54.66 -43.09 72.09 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.587 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.14 -28.07 69.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 109.854 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 77' ' ' LYS . 97.0 m-20 -88.86 -3.99 58.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.83 7.4 85.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -62.06 -38.6 89.38 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -124.92 162.09 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.47 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 78.7 p -73.04 149.57 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.542 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.16 -32.48 19.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.427 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.05 -41.61 97.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.071 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.62 -40.46 95.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.692 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.69 -25.07 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.28 80.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.768 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.133 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.639 ' O ' HG12 ' A' ' 57' ' ' VAL . 80.8 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.807 ' O ' HG22 ' A' ' 58' ' ' VAL . 60.5 t -63.56 -42.0 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.046 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -56.0 -22.5 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 54' ' ' VAL . 6.1 p -53.32 -25.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.325 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 55' ' ' VAL . 33.2 m -65.02 -21.78 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.696 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.68 -38.28 84.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -62.55 -40.49 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.23 -39.1 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.437 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.408 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.01 -41.96 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.427 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.55 -39.98 92.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.157 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.98 -39.94 95.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.4 t -59.3 -45.02 92.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.23 -39.62 95.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.947 0.404 . . . . 0.0 110.142 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.44 -39.18 93.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -105.94 8.04 32.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 61.8 t30 48.42 44.96 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.38 -39.99 94.99 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.754 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -131.42 123.59 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -153.78 153.99 33.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.45 . . . . 0.0 111.04 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -75.84 154.96 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.741 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.49 -44.13 97.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.53 -44.7 81.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.804 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 59.7 mtpt -66.73 -50.64 62.15 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.873 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 73' ' ' ALA . 1.9 mp -38.61 -68.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.261 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -53.27 -36.74 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -59.6 -37.24 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.728 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -84.82 -10.35 57.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.91 21.68 79.64 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -60.71 -38.39 84.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.793 0.33 . . . . 0.0 110.758 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.4 pt -85.83 169.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 85' ' ' THR . 0.0 OUTLIER -56.25 126.64 27.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.436 . . . . 0.0 111.089 -178.71 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -72.42 -19.24 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.3 -39.58 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.581 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.23 -39.75 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.491 -0.484 . . . . 0.0 109.846 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.41 88.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.159 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.68 -38.75 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.648 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.51 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.38 . . . . 0.0 110.399 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.678 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.825 0.345 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.03 -32.05 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.76 -46.21 91.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.17 -43.86 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.15 -44.74 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.58 -41.92 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.846 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -42.01 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.47 . . . . 0.0 110.42 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -37.68 87.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.85 -41.07 95.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.562 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.12 -41.16 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -68.99 -37.81 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.673 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.5 p -63.07 -37.71 88.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.06 -49.4 65.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.8 97.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -68.02 -38.86 83.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.582 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 72' ' ' ASP . 63.7 t30 52.46 45.64 28.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.43 66.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.575 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 70' ' ' ASN . 35.5 t0 -160.13 147.86 16.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.545 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.1 139.73 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.523 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.0 t -111.96 158.4 19.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.977 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.7 tp -56.15 -45.42 79.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -59.78 -41.55 91.35 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.466 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.69 -46.72 81.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.085 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 75' ' ' LEU . 65.3 mt -46.61 -48.84 19.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.474 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.43 -43.32 88.66 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.83 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.23 66.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -89.71 -3.32 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.061 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.94 78.89 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -63.59 -37.96 89.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.487 0.184 . . . . 0.0 111.29 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -119.81 161.0 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.991 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.9 t -67.2 148.33 51.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -90.65 -25.0 20.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.313 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.26 -42.82 87.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.4 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.613 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -74.36 -43.39 56.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.79 -50.06 69.43 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.821 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.52 -179.747 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.971 0.415 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 58' ' ' VAL . 58.4 t -61.8 -42.79 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.119 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.36 -40.85 92.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.882 0.372 . . . . 0.0 111.082 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLU . 53.1 t -61.08 -41.22 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.727 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 55' ' ' VAL . 1.3 p -44.6 -19.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.875 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.7 mt-10 -61.98 -40.64 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.55 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.2 p -63.41 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 0.0 110.179 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.37 -27.95 64.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.507 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.52 91.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.76 -44.2 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 64' ' ' LEU . 10.1 mp -63.01 -40.28 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.518 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -61.89 -40.8 96.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 86.8 mt -62.73 -41.19 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.95 -39.31 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.524 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -68.45 -33.81 74.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 80.0 m-20 56.97 49.36 14.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.744 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.51 -39.87 89.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.419 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.2 144.93 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.1 p -110.21 162.79 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.23 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.0 tp -47.58 -45.41 27.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -60.21 -40.67 90.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.965 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.5 mmtt -70.62 -53.31 16.39 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 75' ' ' LEU . 83.4 mt -38.81 -45.39 1.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.479 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.7 -41.15 92.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -78.44 -14.98 59.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.57 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.7 m-20 -95.86 6.99 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.593 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.06 2.33 65.63 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.994 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -65.61 -42.58 91.45 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.765 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.46 141.5 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 p -114.23 146.86 39.84 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.716 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.428 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 88.6 tt0 -62.45 -41.19 98.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.284 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -70.06 -39.45 75.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.632 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.88 83.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' NZ ' ' CG ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -66.03 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.697 0.284 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.64 95.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.56 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.601 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 57' ' ' VAL . 24.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.104 0.478 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -69.11 -11.54 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.995 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -61.19 -37.61 83.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.419 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 54' ' ' VAL . 33.6 m -52.85 -19.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.0 -43.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.217 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.85 -37.1 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.6 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -60.0 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.85 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.259 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.19 84.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.773 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -38.74 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.405 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.25 -43.98 95.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 109.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.74 -48.28 82.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.2 p -64.86 -24.7 67.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.488 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.12 -41.68 98.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.185 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.49 -40.15 93.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -71.83 -13.37 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.399 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.497 ' OD1' ' NH1' ' A' ' 83' ' ' ARG . 33.1 m120 50.49 46.5 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.47 -42.32 95.98 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.276 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -113.61 102.77 10.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.378 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.82 149.7 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -80.98 166.4 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.309 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.3 -32.23 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.028 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.91 -40.1 87.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.025 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 98.7 mttt -76.53 -59.24 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 84' ' ' ILE . 1.2 mp -38.45 -69.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.715 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -57.51 -41.17 80.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.278 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.59 76.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 11.5 m-20 -85.03 -5.62 59.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.09 15.8 80.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.497 ' NH1' ' OD1' ' A' ' 70' ' ' ASN . 77.2 mtp85 -68.97 -21.63 64.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.406 HG21 HD23 ' A' ' 78' ' ' LEU . 43.0 pt -125.91 158.64 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.916 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -73.95 145.73 44.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.772 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -86.22 -20.4 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.79 -39.99 93.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.327 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.29 -42.05 99.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -31.65 49.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 111.023 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.3 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.679 179.741 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 57' ' ' VAL . 25.2 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 121.118 0.485 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.14 -18.47 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.817 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.45 -39.44 87.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' CG2' ' A' ' 54' ' ' VAL . 56.3 t -61.36 -44.58 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.186 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -62.44 -42.42 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.681 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.967 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.0 p -64.93 -36.2 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.91 -36.71 84.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.36 87.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.47 -39.92 92.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.417 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.31 -43.97 95.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -63.95 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.105 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.4 p -61.75 -36.31 80.63 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 3.3 mm? -65.75 -37.49 86.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.42 -38.65 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -88.85 -7.17 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.417 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 97.6 m-20 54.46 46.43 24.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.4 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.26 -38.89 88.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.458 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -91.34 134.51 34.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 77' ' ' LYS . . . -150.41 150.74 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 77' ' ' LYS . 88.6 p -110.4 167.2 10.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mp -40.03 -43.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.421 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -60.26 -39.88 88.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.779 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.676 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 33.4 mmtp -75.69 -53.78 8.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 tp -36.52 -40.84 0.27 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.282 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.7 -41.16 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.649 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -64.32 -21.1 66.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.83 -7.89 55.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.335 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.02 -0.29 79.57 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.788 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.37 -44.87 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.498 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -108.95 164.57 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.072 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -54.29 132.35 43.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.728 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -83.46 -29.93 27.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.23 -39.39 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.719 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.31 -43.08 99.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.659 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.26 96.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.34 -39.19 89.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.291 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.08 -41.61 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.826 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 110.163 178.917 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.59 ' CG1' HG23 ' A' ' 57' ' ' VAL . 4.6 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.951 0.405 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.5 -17.58 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.955 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.536 ' H ' HG22 ' A' ' 54' ' ' VAL . 58.3 tptt -59.9 -39.81 86.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.407 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.59 HG23 ' CG1' ' A' ' 54' ' ' VAL . 53.8 t -59.77 -46.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.41 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.16 -19.56 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 111.062 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.66 -44.35 93.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.945 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -63.36 -37.58 87.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.184 0.516 . . . . 0.0 110.155 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.14 -38.11 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.188 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.91 95.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.715 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -74.15 -32.27 63.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.725 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.81 -44.6 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -60.4 -48.03 83.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.827 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.7 m -61.06 -42.33 98.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.36 -49.33 69.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.54 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.143 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -77.39 -15.8 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.578 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.5 t-20 53.61 53.73 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.82 -39.22 88.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.3 106.66 8.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 110.729 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.63 125.27 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.5 p -72.22 164.57 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 75' ' ' LEU . 4.5 tt -60.81 -46.94 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -54.51 -48.67 71.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.165 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' LEU . 59.3 mtpt -62.7 -48.46 79.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.552 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.7 mp -38.65 -70.48 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.055 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.89 -38.71 73.17 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.784 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.27 66.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.1 t0 -94.56 2.91 55.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.2 14.07 82.96 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.92 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -62.11 -39.6 93.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.877 0.338 . . . . 0.0 111.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.98 159.53 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.329 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.6 p -74.44 154.88 38.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.137 0.494 . . . . 0.0 111.274 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -92.89 -31.46 14.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.624 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.61 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.83 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -57.66 -41.19 81.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.717 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.32 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.591 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -67.58 -52.37 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.811 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.59 86.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.246 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.707 179.813 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 56' ' ' LYS . 97.1 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.957 0.408 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.785 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.5 p -66.54 -25.13 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.222 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.599 ' H ' HG12 ' A' ' 54' ' ' VAL . 12.1 tptm -56.68 -28.02 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.382 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.02 -19.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.785 HG13 ' O ' ' A' ' 55' ' ' VAL . 35.7 m -55.3 -18.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -40.03 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.758 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.28 -41.63 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.064 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.89 -37.21 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.377 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -39.13 91.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.35 -41.06 92.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.076 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 91.7 t80 -58.62 -47.42 84.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.4 m -61.0 -39.43 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.71 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.92 -39.05 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.617 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -61.52 -38.45 87.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.514 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.9 mmtp -90.18 -2.07 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.78 49.03 21.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -117.62 106.09 12.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.15 121.86 44.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.667 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.8 p -74.13 171.14 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.99 -48.25 80.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -57.09 -40.2 76.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.611 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 67.1 mmtt -64.47 -52.76 56.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mp -38.99 -63.39 0.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.018 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.95 -39.28 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -60.2 -35.36 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.4 t0 -88.33 3.45 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.271 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.76 78.62 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.89 -31.78 73.08 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.05 160.0 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.898 0.38 . . . . 0.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -70.05 147.48 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -90.23 -18.6 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.66 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.98 -42.71 99.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.13 -39.2 93.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.232 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.71 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -82.66 -28.41 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.4 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.44 80.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.818 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.4 t80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.895 -179.767 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 56' ' ' LYS . 59.6 t . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 58' ' ' VAL . 33.8 m -44.55 -36.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.198 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' H ' HG12 ' A' ' 54' ' ' VAL . 56.0 mtmt -65.5 -38.99 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 59' ' ' GLU . 61.6 t -61.88 -40.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.713 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 55' ' ' VAL . 4.0 p -39.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.131 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 mt-10 -61.42 -40.45 94.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.8 p -63.5 -36.78 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 109.97 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -66.57 -28.16 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.527 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.69 81.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.99 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.68 -25.4 26.89 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.401 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -44.27 97.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.04 -47.77 84.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.55 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.08 -43.17 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.95 -45.5 94.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.069 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.84 -37.71 88.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.593 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -68.88 -36.91 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 58.56 50.47 9.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.65 -39.14 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.896 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -150.31 115.85 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.76 158.97 44.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.547 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -110.28 156.85 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.789 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.04 -13.78 60.54 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.466 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.49 -35.76 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.416 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.76 -25.19 67.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 78' ' ' LEU . 96.6 mt -88.88 -44.1 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -52.02 -35.13 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.611 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.12 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.478 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -76.27 -19.31 58.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 109.674 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.15 81.18 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.353 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.74 -39.74 95.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.395 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 pt -84.76 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.062 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -74.54 129.97 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.3 -13.43 46.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.061 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -69.84 -33.2 71.97 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.202 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.62 -27.62 67.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.269 0.557 . . . . 0.0 110.015 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.13 89.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 2.6 mptp? -60.59 -41.58 95.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.02 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.487 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.6 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.293 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 56' ' ' LYS . 87.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.158 0.504 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -39.78 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' H ' HG12 ' A' ' 54' ' ' VAL . 52.8 tptt -58.46 -39.4 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.306 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.58 -42.1 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.12 -19.35 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.28 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -48.22 -20.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.666 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.342 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.43 -28.03 68.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.305 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.53 83.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.964 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.21 95.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.456 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 64' ' ' LEU . 8.0 mp -62.83 -39.34 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.425 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.524 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 89.5 t80 -59.51 -48.48 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.56 -42.57 99.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 110.423 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.91 -43.72 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.369 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.26 -42.35 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.524 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.4 mmtp -85.2 -5.62 59.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 54.86 49.58 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.162 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -83.85 0.84 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.759 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 48.3 p-10 -160.14 130.9 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.031 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.55 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -157.0 158.53 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.562 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -82.9 159.95 22.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.82 -45.81 50.47 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -60.06 -42.97 95.64 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.356 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 80' ' ' ALA . 98.7 mttt -67.84 -50.34 57.17 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.75 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -38.8 -44.34 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.753 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.46 -41.89 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.475 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -77.09 -13.0 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.612 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.39 5.71 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.193 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.28 -0.94 78.31 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.222 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.0 -41.82 95.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.477 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 84' ' ' ILE . 37.3 pt -135.78 142.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.9 p -113.8 138.2 50.6 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.003 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.75 -40.84 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.19 -43.56 98.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.574 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -66.51 -40.37 89.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.778 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.31 82.27 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.504 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -54.16 -35.18 61.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.931 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.2 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 179.62 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 57' ' ' VAL . 69.8 t . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.99 0.424 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -80.17 -24.31 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.26 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.36 -42.68 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -62.71 -36.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.518 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.651 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.55 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.0 p -64.72 -37.17 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.166 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.62 -37.6 88.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.75 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.24 86.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -43.95 95.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.169 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.47 -43.21 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 109.966 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.61 -46.02 91.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.585 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.27 -43.52 98.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -39.96 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -69.05 -22.73 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.464 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.34 45.37 25.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.32 -38.44 89.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.56 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.13 99.72 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -75.55 176.01 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.563 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.29 -49.02 75.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -52.52 -44.1 65.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 73.6 mmtt -62.61 -51.46 67.22 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 mp -39.02 -64.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.431 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -55.3 -37.72 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -56.64 -26.59 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.252 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.85 2.19 53.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.155 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.95 15.88 79.89 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -62.97 -36.07 82.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.421 0.153 . . . . 0.0 111.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.1 pt -125.92 165.15 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.762 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.46 ' OG1' ' CG ' ' A' ' 88' ' ' GLN . 71.4 p -68.91 136.6 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.209 0.528 . . . . 0.0 111.324 -179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.611 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.52 -39.55 93.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.796 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CG ' ' OG1' ' A' ' 85' ' ' THR . 98.2 mm-40 -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.901 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.9 85.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.023 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -80.52 -21.67 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.138 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 111.007 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 57' ' ' VAL . 99.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.102 0.477 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.4 -25.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.418 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -59.94 -39.68 86.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 54' ' ' VAL . 34.5 m -60.59 -39.01 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 57' ' ' VAL . 1.3 p -79.44 -29.26 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.832 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -43.95 96.67 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.662 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.2 p -66.35 -35.44 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.052 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -64.12 -37.45 87.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.4 96.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.26 -41.65 96.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.194 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.99 -41.21 95.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.841 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.11 -49.02 79.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.5 p -65.65 -39.17 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.68 -45.43 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.39 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.25 -22.58 61.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.746 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 60.06 60.25 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.309 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.38 -38.08 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 65.5 t0 -49.99 143.64 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -48.08 110.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -91.22 174.16 7.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 mt -82.46 -24.59 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 83.0 mtp180 -61.41 -40.51 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 -61.36 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.153 0.501 . . . . 0.0 109.986 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -38.73 -68.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -55.51 -41.92 73.78 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.76 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 76' ' ' ARG . . . -59.86 -37.41 79.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.461 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.59 -2.46 50.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.426 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.54 16.15 80.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -62.23 -38.07 87.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.17 159.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.474 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -65.86 145.71 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -87.0 -33.96 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.368 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -57.67 -34.33 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.643 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.52 -43.38 97.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.75 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -59.62 -38.34 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.78 -44.67 28.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.806 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.487 0.66 . . . . 0.0 109.688 178.415 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 57' ' ' VAL . 93.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.966 0.413 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.64 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.587 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.91 -18.9 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.02 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -48.83 -24.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.33 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.28 -21.61 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.059 0.457 . . . . 0.0 110.352 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.88 -35.48 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.7 p -59.16 -32.4 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.84 -40.72 98.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 109.918 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.59 -36.04 75.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.018 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.09 -40.28 89.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -67.85 -35.81 79.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 110.325 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ASN . 75.4 m -61.79 -37.64 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.314 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.52 -39.72 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.786 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.16 -38.15 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.796 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.35 -20.67 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 109.869 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' SER . 55.1 t30 51.43 24.85 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 42.83 17.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASN . 29.5 t0 -161.2 161.39 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.532 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -143.78 145.98 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.291 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.825 ' O ' HD13 ' A' ' 78' ' ' LEU . 41.8 t -63.77 -170.61 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 111.222 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' N ' ' OG ' ' A' ' 74' ' ' SER . 7.5 mp -90.48 -41.96 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.782 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.72 -43.77 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 81' ' ' ASP . 57.4 mtmt -64.55 -52.73 56.18 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.667 -0.813 . . . . 0.0 108.914 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 74' ' ' SER . 3.4 mp -39.95 -59.9 1.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.858 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.98 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.61 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -21.32 63.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.9 m-20 -93.79 5.74 50.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.315 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.96 88.36 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.675 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -63.01 -39.93 96.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 109.942 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.1 pt -135.45 140.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.587 ' HG1' ' CD ' ' A' ' 88' ' ' GLN . 71.0 p -115.14 131.61 56.87 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.637 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.2 -41.25 96.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.385 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.587 ' CD ' ' HG1' ' A' ' 85' ' ' THR . 1.8 pt20 -89.47 -19.93 24.5 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.993 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.3 89.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.733 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -74.84 -21.11 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.757 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.655 ' O ' HG12 ' A' ' 57' ' ' VAL . 27.2 m . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 58' ' ' VAL . 34.3 m -65.81 -21.68 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.86 -31.53 72.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.437 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 54' ' ' VAL . 7.6 p -49.06 -21.42 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 55' ' ' VAL . 31.0 m -60.83 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 98.3 mt-10 -61.46 -39.12 89.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -60.93 -42.07 97.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -63.41 -28.61 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -60.71 -39.36 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.555 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.9 -39.2 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.7 -41.13 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.142 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -59.04 -47.2 86.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.645 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 m -60.91 -39.6 90.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.228 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.9 -43.44 98.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.849 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.69 -39.16 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -68.86 -18.62 64.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.182 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 56.32 40.75 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -84.09 58.06 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -80.26 166.89 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 158.06 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.458 ' H ' ' CE ' ' A' ' 77' ' ' LYS . 38.1 t -84.31 171.32 12.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.02 -17.58 60.48 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.453 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -85.61 -34.5 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.729 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CE ' ' H ' ' A' ' 74' ' ' SER . 56.0 mtmt -70.71 -19.82 62.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.66 -45.89 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -52.93 -36.48 59.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.37 86.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.971 -0.691 . . . . 0.0 109.251 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -73.86 -24.32 59.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.63 178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.21 17.42 80.01 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.08 -39.89 96.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.1 pt -57.29 168.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.621 HG23 ' H ' ' A' ' 88' ' ' GLN . 8.8 t -61.3 143.83 54.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 111.248 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.65 -37.49 86.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.4 -39.82 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.504 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.621 ' H ' HG23 ' A' ' 85' ' ' THR . 72.1 tp60 -62.24 -40.03 94.83 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.701 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.37 94.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -59.81 -43.3 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.322 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.98 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.124 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.594 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.634 ' O ' HG12 ' A' ' 57' ' ' VAL . 94.4 t . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.39 -41.81 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -62.86 -21.64 66.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 54' ' ' VAL . 4.1 p -50.3 -19.87 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 0.0 110.192 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.41 -43.12 93.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.939 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.78 -41.98 92.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.698 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -64.4 -39.69 94.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.492 . . . . 0.0 109.689 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -62.04 -37.11 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.91 91.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.53 -42.19 98.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.104 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.11 -40.98 95.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.98 -47.64 84.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.228 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.3 m -60.26 -42.34 95.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.959 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.75 -38.9 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.83 -41.26 97.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -89.48 -11.2 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.9 t30 50.92 18.72 0.55 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' ASN . 78.4 mm-40 36.17 -114.8 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.66 92.63 1.86 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.99 149.38 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.8 t -79.99 164.53 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -62.3 -41.11 98.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.03 -39.32 83.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.759 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.23 -19.42 64.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.596 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 78' ' ' LEU . 92.3 mt -91.01 -59.19 2.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HG2' HD11 ' A' ' 84' ' ' ILE . 97.8 mt-30 -56.68 -36.19 69.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.706 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.8 84.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -81.46 -28.52 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.368 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.16 76.1 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.554 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.56 -44.95 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.04 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.411 HD11 ' HG2' ' A' ' 79' ' ' GLN . 26.3 pt -61.71 -179.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 0.0 111.361 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.42 135.15 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.647 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -68.06 -39.88 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.19 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.07 -39.82 93.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.351 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.04 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.23 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.97 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.896 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.13 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.604 179.789 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 56' ' ' LYS . 95.4 t . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.257 0.551 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 55' ' ' VAL . 7.2 p -51.01 -9.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.064 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 54' ' ' VAL . 23.3 pttp -49.52 -27.97 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.873 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.62 -46.33 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 109.879 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.47 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.676 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.87 -39.86 90.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.571 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.4 m -61.96 -40.07 94.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.82 -29.5 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.68 -9.73 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.766 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.0 -42.31 99.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.89 -41.01 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.405 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.58 -48.95 79.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.369 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -63.96 -39.19 93.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.739 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -46.24 90.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.761 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.61 97.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.243 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -68.36 -40.35 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.274 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ASP . 53.8 t30 51.7 24.98 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 39.91 21.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.124 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.3 m-20 -96.2 138.92 33.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.511 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 154.28 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.233 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.418 ' H ' ' HE3' ' A' ' 77' ' ' LYS . 43.7 t -85.45 161.59 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.106 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.75 -17.83 62.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.355 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -84.05 -37.06 22.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HE3' ' H ' ' A' ' 74' ' ' SER . 56.4 mtmt -70.73 -18.91 62.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.363 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.03 -57.57 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.6 tm0? -49.28 -26.29 2.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.74 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.58 -16.64 61.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.307 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.32 6.76 80.74 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.43 -35.7 81.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.33 157.86 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.32 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.2 p -79.46 158.04 27.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.159 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 51.6 mp0 -81.03 -36.94 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.705 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -68.06 -37.66 81.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -65.06 -41.0 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.12 81.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -82.79 -25.89 32.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 0.0 110.214 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.76 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.992 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.3 t80 . . . . . 0 C--N 1.327 -0.377 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.917 -179.684 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' HB ' ' A' ' 57' ' ' VAL . 2.6 m . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.643 ' O ' HG22 ' A' ' 58' ' ' VAL . 69.9 t -66.0 -41.89 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.323 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.87 -15.9 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.982 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.554 ' HB ' HG23 ' A' ' 54' ' ' VAL . 9.0 p -49.27 -34.46 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 55' ' ' VAL . 33.6 m -78.33 -32.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.692 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.31 -40.28 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.3 p -62.41 -39.29 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.973 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.283 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.25 94.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.744 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.36 -39.58 94.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.371 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -46.28 90.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.66 -48.58 81.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -63.2 -39.34 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.84 -50.64 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.255 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.25 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.4 -41.5 89.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.102 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 27.6 t-20 53.25 23.13 3.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 39.68 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ASN . 68.2 m-20 -123.16 130.8 53.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.77 142.74 44.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.833 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.3 p -80.49 170.09 16.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.593 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 75' ' ' LEU . 10.9 mp -65.7 -20.45 66.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.112 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.54 -28.8 30.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 0.0 109.995 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -67.98 -28.79 67.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.3 -48.18 7.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.05 -33.64 65.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.086 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.28 87.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.99 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.61 14.84 77.29 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -61.67 -39.38 91.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -122.82 160.19 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.231 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 88' ' ' GLN . 9.4 t -70.93 150.13 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -81.77 -28.4 33.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.502 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.3 -38.7 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.812 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.477 ' H ' HG23 ' A' ' 85' ' ' THR . 64.9 tt0 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.7 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.67 93.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.81 -37.32 81.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.15 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.561 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.589 . . . . 0.0 109.686 178.491 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 56' ' ' LYS . 94.6 t . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.143 0.496 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 55' ' ' VAL . 11.4 p -49.08 -8.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.987 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' H ' HG12 ' A' ' 54' ' ' VAL . 26.3 pttm -52.82 -14.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.039 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.82 -46.0 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.242 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 55' ' ' VAL . 9.3 m -75.33 -25.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.879 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.99 -42.35 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.062 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.7 m -65.5 -40.41 93.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.067 0.46 . . . . 0.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.684 ' NE2' ' CE1' ' A' ' 65' ' ' TYR . 5.4 tm0? -63.89 -36.05 82.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.12 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.88 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.53 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.684 ' CE1' ' NE2' ' A' ' 61' ' ' GLN . 21.3 m-85 -64.18 -39.47 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ASN . 92.6 p -62.37 -36.67 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.586 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.07 -46.47 88.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.205 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -64.36 -40.65 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -76.89 -28.12 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 66' ' ' SER . 70.8 m-80 58.62 21.86 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.905 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 43.48 34.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -158.96 160.14 35.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 144.47 56.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.414 ' H ' ' HD2' ' A' ' 77' ' ' LYS . 81.6 p -83.48 173.77 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.194 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.77 -37.46 86.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.83 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -67.78 -39.78 84.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.296 -0.561 . . . . 0.0 109.58 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' HD2' ' H ' ' A' ' 74' ' ' SER . 68.7 mttm -70.43 -21.22 62.84 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.464 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.1 -63.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -48.85 -38.73 23.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.38 90.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.218 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.57 -23.69 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.71 5.96 58.5 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.484 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -36.89 84.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.947 0.373 . . . . 0.0 111.523 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 pt -115.97 155.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.989 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 p -79.31 160.32 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -90.44 -40.49 12.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.958 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.71 -35.15 78.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.919 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.4 -43.78 98.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.938 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.64 83.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.168 0.509 . . . . 0.0 110.459 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -73.64 -50.87 18.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.76 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.22 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -121.33 -7.1 9.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.19 153.82 48.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.635 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -118.52 132.55 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.413 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 46' ' ' VAL . 83.0 tt0 -159.66 156.67 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.128 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.14 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.356 0.598 . . . . 0.0 109.517 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.41 ' H ' ' HG2' ' A' ' 44' ' ' GLU . 62.0 t -64.61 -42.13 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.408 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -58.27 145.8 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.531 . . . . 0.0 111.43 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -154.64 164.87 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.936 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -41.47 97.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.648 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.18 0.79 78.43 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.02 -27.75 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.376 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.41 89.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.389 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.39 140.38 44.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.187 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.5 p -110.41 119.5 59.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.26 0.553 . . . . 0.0 111.022 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 58' ' ' VAL . 68.2 t -66.23 -39.06 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.622 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.46 -20.82 58.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.061 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.2 p -51.74 -41.29 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.997 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' HG13 ' A' ' 57' ' ' VAL . 6.2 p -74.78 -30.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.37 96.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.96 -42.4 99.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.852 0.358 . . . . 0.0 110.629 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.66 -28.23 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.65 87.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.471 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.17 96.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 64' ' ' LEU . 8.8 mp -62.3 -39.19 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.385 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.94 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -62.88 -40.0 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 59.9 tp -61.39 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.38 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.98 -36.95 83.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -82.59 -21.06 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.57 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 81.0 m-20 53.15 40.49 31.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 72.8 mm-40 -63.04 -40.84 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.705 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 71' ' ' GLU . 99.1 m-20 -139.91 132.47 28.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.08 142.47 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.2 p -73.58 165.53 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.612 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.22 -47.58 83.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -50.06 -50.56 47.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.095 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.74 -48.45 79.15 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.188 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.592 HD23 ' CG2' ' A' ' 84' ' ' ILE . 2.0 mp -39.89 -67.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.983 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.01 -38.59 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.751 0.31 . . . . 0.0 110.406 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.12 81.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.16 -11.84 48.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 109.825 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.15 19.7 79.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -62.09 -40.84 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.921 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.592 ' CG2' HD23 ' A' ' 78' ' ' LEU . 19.0 pt -68.22 148.09 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.034 0.445 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.4 p -80.46 168.18 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.225 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.73 -38.38 84.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.62 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.24 -40.71 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.071 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -77.42 -21.79 52.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.288 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.13 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.8 -23.04 62.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.055 0.455 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 93' ' ' LYS . . . -64.35 -14.09 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.629 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -47.05 -20.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.548 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 91' ' ' ALA . 15.6 mmmt -65.16 -11.64 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.735 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.38 -25.89 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.859 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.54 -46.92 83.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.89 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -60.88 -43.23 98.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.441 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.73 -40.82 98.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.06 -43.03 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.482 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.19 -33.63 72.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.78 8.03 46.48 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.4 96.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.991 0.425 . . . . 0.0 110.347 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -87.48 102.62 14.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.28 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -67.61 148.36 51.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -98.75 136.35 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.11 -29.52 47.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.785 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -106.2 135.68 47.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.54 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 42' ' ' GLN . 6.7 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt 63.11 -67.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 40' ' ' THR . 77.7 mt-30 55.38 54.94 7.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.749 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 45' ' ' ALA . 68.9 mttm -61.67 157.02 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.781 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -74.71 6.81 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.621 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 43' ' ' LYS . . . -100.24 -2.5 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.256 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.5 p -63.53 -30.26 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.334 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.8 131.87 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.326 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -152.16 106.37 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.99 -39.91 93.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.94 -3.13 76.98 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.561 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -64.65 -39.42 93.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.297 1.048 . . . . 0.0 110.619 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.46 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.032 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 145.41 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.32 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 56' ' ' LYS . 57.7 t -110.22 129.32 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.4 m -39.87 -23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.537 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' H ' HG12 ' A' ' 54' ' ' VAL . 26.8 mmtp -62.0 -40.16 94.72 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.237 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.32 -44.65 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.3 -46.76 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.73 -38.94 92.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.743 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -60.8 -47.92 84.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.026 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -67.84 -39.42 83.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.46 -23.98 66.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.705 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.61 -42.2 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.537 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.77 -40.06 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.618 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' LYS . 68.1 m-85 -70.75 -28.31 64.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.1 t -58.85 -41.17 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.809 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.16 -39.74 91.23 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.721 -0.392 . . . . 0.0 109.992 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -86.59 -17.12 34.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' TYR . 20.4 tptp -70.11 -35.69 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.5 m120 57.52 51.02 10.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.317 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.79 -40.12 87.22 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.154 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 57.4 p-10 -152.08 145.88 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.514 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.54 154.11 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.155 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.6 p -81.42 167.94 18.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.744 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.84 -39.78 72.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.905 0.383 . . . . 0.0 110.917 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.65 -22.32 66.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.419 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -56.08 3.36 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.85 -39.68 39.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.04 90.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.46 -26.58 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.612 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.69 16.52 75.24 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.786 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.3 pt -59.15 174.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.486 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.7 p -72.38 157.36 37.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.26 0.552 . . . . 0.0 111.595 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -70.16 -39.56 75.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.063 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -45.07 95.12 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.218 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.36 -40.15 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.653 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.37 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.2 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.51 -39.86 95.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.121 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.38 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.208 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.89 -39.86 93.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.19 -38.67 92.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -60.74 -43.54 97.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.976 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.62 -46.0 91.92 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.21 -39.16 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.3 -20.57 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -86.15 2.66 87.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.06 -25.0 63.73 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.06 86.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.95 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 100' ' ' GLY . 52.4 p30 -151.14 166.18 31.6 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.897 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.747 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -70.33 144.8 51.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.702 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.75 137.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.917 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -97.5 109.19 21.99 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.849 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.628 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' N ' ' OG1' ' A' ' 40' ' ' THR . 68.4 mttm -62.26 -39.16 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.68 -39.97 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.533 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -60.4 128.73 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.381 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 53.11 31.58 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.34 -59.05 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.5 p -123.2 144.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.899 0.38 . . . . 0.0 110.445 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -66.37 147.09 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.72 26.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.547 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.9 -39.46 94.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.43 -0.75 88.81 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -110.36 -12.05 14.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.44 94.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.977 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.54 134.45 54.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.578 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.13 127.44 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.537 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.87 -42.33 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.83 -41.12 90.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.27 -43.84 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.83 -44.66 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.11 -38.88 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.201 0.524 . . . . 0.0 110.619 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.0 p -62.96 -19.76 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.537 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.21 -46.58 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.842 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.94 81.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.588 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.89 -38.83 79.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.61 -31.44 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.497 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 t -60.68 -39.44 88.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.597 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.32 -43.28 88.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.339 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.82 -42.45 97.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.8 -7.92 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.195 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.72 18.08 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.621 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 42.86 62.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.409 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -159.99 161.59 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.17 131.48 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.4 p -82.27 164.54 21.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.73 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.51 -29.92 41.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.1 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.99 -47.44 85.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.282 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' ASP . 62.3 mttp -61.6 -63.99 1.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.611 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 mp -38.43 -68.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.235 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -54.66 -43.09 72.09 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.587 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.14 -28.07 69.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 109.854 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 77' ' ' LYS . 97.0 m-20 -88.86 -3.99 58.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.83 7.4 85.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -62.06 -38.6 89.38 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -124.92 162.09 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.47 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 78.7 p -73.04 149.57 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.542 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.16 -32.48 19.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.427 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.05 -41.61 97.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.071 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.62 -40.46 95.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.692 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.69 -25.07 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.28 80.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.768 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.93 -39.44 85.48 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' O ' ' OD1' ' A' ' 96' ' ' ASN . 64.7 tttm -57.0 -45.11 83.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.694 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -48.93 -25.56 2.0 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.548 0.213 . . . . 0.0 110.914 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -55.54 -48.37 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.341 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 47.9 p-10 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 111.035 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 32.5 t70 -58.73 -28.24 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -58.27 -44.07 88.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -65.37 -33.23 75.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.23 -39.95 97.9 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.313 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.19 3.46 85.57 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.54 77.19 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.091 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 50.6 p30 -115.69 62.88 0.69 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -59.78 -26.95 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -73.4 152.95 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.62 159.38 38.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -102.97 15.77 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.546 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -144.02 128.26 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.116 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 44.65 57.63 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.331 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.51 -41.07 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.889 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -97.47 122.73 40.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.184 0.516 . . . . 0.0 110.603 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.84 87.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 46' ' ' VAL . 9.3 p -78.84 91.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.378 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -100.82 150.32 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -108.86 64.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -99.5 5.35 46.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.653 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.39 35.89 59.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.34 -12.16 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.681 0.277 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.148 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.78 147.96 36.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.103 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.639 ' O ' HG12 ' A' ' 57' ' ' VAL . 80.8 t -69.66 126.03 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.807 ' O ' HG22 ' A' ' 58' ' ' VAL . 60.5 t -63.56 -42.0 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.046 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -56.0 -22.5 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 54' ' ' VAL . 6.1 p -53.32 -25.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.325 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 55' ' ' VAL . 33.2 m -65.02 -21.78 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.696 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.68 -38.28 84.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -62.55 -40.49 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.23 -39.1 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.437 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.408 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.01 -41.96 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.427 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.55 -39.98 92.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.157 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.98 -39.94 95.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.4 t -59.3 -45.02 92.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.23 -39.62 95.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.947 0.404 . . . . 0.0 110.142 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.44 -39.18 93.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -105.94 8.04 32.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 61.8 t30 48.42 44.96 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.38 -39.99 94.99 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.754 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -131.42 123.59 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -153.78 153.99 33.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.45 . . . . 0.0 111.04 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -75.84 154.96 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.741 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.49 -44.13 97.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.53 -44.7 81.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.804 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 59.7 mtpt -66.73 -50.64 62.15 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.873 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 73' ' ' ALA . 1.9 mp -38.61 -68.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.261 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -53.27 -36.74 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -59.6 -37.24 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.728 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -84.82 -10.35 57.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.91 21.68 79.64 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -60.71 -38.39 84.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.793 0.33 . . . . 0.0 110.758 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.4 pt -85.83 169.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 85' ' ' THR . 0.0 OUTLIER -56.25 126.64 27.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.436 . . . . 0.0 111.089 -178.71 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -72.42 -19.24 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.3 -39.58 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.581 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.23 -39.75 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.491 -0.484 . . . . 0.0 109.846 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.41 88.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.159 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.68 -38.75 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.648 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.51 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.38 . . . . 0.0 110.399 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.77 -45.02 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -59.57 -47.64 84.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.666 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.03 -28.8 64.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.413 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 91.9 t80 -61.64 -48.31 81.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.64 -40.62 95.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.729 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 101' ' ' GLY . 37.2 t70 -62.22 -42.58 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.58 -44.01 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.767 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.413 ' ND2' ' CZ ' ' A' ' 95' ' ' TYR . 98.7 m-20 -84.5 -5.01 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.08 -20.79 8.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' ASP . . . -90.27 -3.13 72.86 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.7 -10.41 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.747 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -61.06 -44.15 97.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.024 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -57.46 138.31 55.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -80.6 -12.61 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.696 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.831 HG12 ' H ' ' A' ' 108' ' ' ASP . 88.5 t -119.78 127.55 75.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.83 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 108' ' ' ASP . 57.6 p30 -69.28 -14.79 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.716 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.831 ' H ' HG12 ' A' ' 106' ' ' VAL . 66.1 t0 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -137.0 30.46 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 97.7 mt-30 -92.92 174.2 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ALA . 85.0 tttt 61.44 68.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.831 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 38.46 29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.166 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 42' ' ' GLN . . . -62.67 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.543 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.3 t -131.46 130.42 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -89.87 108.59 19.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.324 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -164.83 26.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.47 -40.61 95.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.091 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 63.49 30.92 79.04 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.21 -42.55 95.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.72 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.39 91.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.835 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -93.63 145.51 24.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.444 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.07 121.75 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.03 -32.05 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.76 -46.21 91.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.17 -43.86 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.15 -44.74 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.58 -41.92 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.846 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -42.01 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.47 . . . . 0.0 110.42 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -37.68 87.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.85 -41.07 95.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.562 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.12 -41.16 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -68.99 -37.81 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.673 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.5 p -63.07 -37.71 88.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.06 -49.4 65.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.8 97.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -68.02 -38.86 83.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.582 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 72' ' ' ASP . 63.7 t30 52.46 45.64 28.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.43 66.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.575 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 70' ' ' ASN . 35.5 t0 -160.13 147.86 16.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.545 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.1 139.73 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.523 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.0 t -111.96 158.4 19.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.977 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.7 tp -56.15 -45.42 79.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -59.78 -41.55 91.35 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.466 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.69 -46.72 81.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.085 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 75' ' ' LEU . 65.3 mt -46.61 -48.84 19.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.474 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -58.43 -43.32 88.66 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.83 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.23 66.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -89.71 -3.32 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.061 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.94 78.89 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -63.59 -37.96 89.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.487 0.184 . . . . 0.0 111.29 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -119.81 161.0 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.991 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.9 t -67.2 148.33 51.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -90.65 -25.0 20.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.313 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.26 -42.82 87.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.4 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.613 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -74.36 -43.39 56.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.79 -50.06 69.43 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.821 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.656 ' CZ ' ' ND2' ' A' ' 96' ' ' ASN . 86.3 t80 -59.15 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.52 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.34 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.0 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.97 -41.61 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.558 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -57.71 -51.63 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.153 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.656 ' ND2' ' CZ ' ' A' ' 92' ' ' TYR . 71.5 m-20 -61.84 -34.92 76.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -48.58 -31.87 7.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -61.31 -37.86 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 0.0 110.146 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.72 4.03 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.745 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.518 ' O ' ' ND2' ' A' ' 103' ' ' ASN . . . 77.76 1.86 79.3 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -35.49 91.21 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.92 88.38 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.978 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 100' ' ' GLY . 28.7 m120 46.53 -127.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.724 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.56 -42.31 2.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.084 0.469 . . . . 0.0 110.314 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt 56.5 12.81 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.345 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.08 152.6 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.846 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -91.86 4.71 52.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.147 0.499 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.2 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.661 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 40' ' ' THR . 29.6 m . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -89.65 -4.8 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.82 -39.74 95.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 44' ' ' GLU . 50.5 tttm 50.5 36.03 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.468 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.615 ' HB3' HG13 ' A' ' 46' ' ' VAL . 98.0 mt-10 57.09 140.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . -88.21 6.73 35.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 44' ' ' GLU . 31.4 m -35.6 156.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.6 170.37 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.174 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.31 146.8 50.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.003 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.97 -40.69 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.4 17.84 70.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -81.62 -5.45 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.01 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.37 149.87 32.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.226 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.75 130.67 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.661 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 58' ' ' VAL . 58.4 t -61.8 -42.79 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.119 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.36 -40.85 92.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.882 0.372 . . . . 0.0 111.082 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLU . 53.1 t -61.08 -41.22 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.727 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 55' ' ' VAL . 1.3 p -44.6 -19.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.875 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.7 mt-10 -61.98 -40.64 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.55 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.2 p -63.41 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 0.0 110.179 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.37 -27.95 64.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.507 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.52 91.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.76 -44.2 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 64' ' ' LEU . 10.1 mp -63.01 -40.28 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.518 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -61.89 -40.8 96.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 86.8 mt -62.73 -41.19 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.95 -39.31 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.524 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -68.45 -33.81 74.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 80.0 m-20 56.97 49.36 14.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.744 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.51 -39.87 89.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.419 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.2 144.93 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.1 p -110.21 162.79 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.23 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.0 tp -47.58 -45.41 27.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -60.21 -40.67 90.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.965 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.5 mmtt -70.62 -53.31 16.39 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 75' ' ' LEU . 83.4 mt -38.81 -45.39 1.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.479 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.7 -41.15 92.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -78.44 -14.98 59.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.57 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.7 m-20 -95.86 6.99 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.593 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.06 2.33 65.63 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.994 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -65.61 -42.58 91.45 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.765 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.46 141.5 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 p -114.23 146.86 39.84 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.716 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 88.6 tt0 -62.45 -41.19 98.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.284 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -70.06 -39.45 75.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.632 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.88 83.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' NZ ' ' CG ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -66.03 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.697 0.284 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.64 95.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.56 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.86 -47.83 84.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.52 -38.31 86.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.038 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.47 -37.34 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.698 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.02 -46.78 89.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.59 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -60.29 -43.77 95.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.661 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.25 -44.22 97.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.558 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.37 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.63 -33.45 71.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.34 166.62 11.11 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.42 -8.16 86.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.13 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.606 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -98.85 106.62 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.139 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -169.53 159.4 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.345 . . . . 0.0 110.988 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -59.55 151.09 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.328 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.19 131.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.18 138.78 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.91 -5.25 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -171.61 -111.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -137.31 88.03 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.16 -13.98 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.29 98.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.483 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 p -158.43 137.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.452 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -97.73 108.35 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -158.83 100.9 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.647 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -104.67 -49.01 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.04 -0.08 83.69 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.49 -40.88 96.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.24 83.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.56 152.63 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.206 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 57' ' ' VAL . 24.1 m -109.54 159.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 0.0 111.162 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -69.11 -11.54 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.995 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -61.19 -37.61 83.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.419 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 54' ' ' VAL . 33.6 m -52.85 -19.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.0 -43.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.217 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.85 -37.1 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.6 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -60.0 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.85 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.259 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.19 84.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.773 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -38.74 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.405 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.25 -43.98 95.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 109.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.74 -48.28 82.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.2 p -64.86 -24.7 67.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.488 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.12 -41.68 98.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.185 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.49 -40.15 93.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -71.83 -13.37 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.399 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.497 ' OD1' ' NH1' ' A' ' 83' ' ' ARG . 33.1 m120 50.49 46.5 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.47 -42.32 95.98 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.276 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -113.61 102.77 10.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.378 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.82 149.7 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -80.98 166.4 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.309 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.3 -32.23 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.028 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.91 -40.1 87.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.025 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 98.7 mttt -76.53 -59.24 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 84' ' ' ILE . 1.2 mp -38.45 -69.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.715 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -57.51 -41.17 80.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.278 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.59 76.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 11.5 m-20 -85.03 -5.62 59.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.09 15.8 80.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.497 ' NH1' ' OD1' ' A' ' 70' ' ' ASN . 77.2 mtp85 -68.97 -21.63 64.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.406 HG21 HD23 ' A' ' 78' ' ' LEU . 43.0 pt -125.91 158.64 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.916 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -73.95 145.73 44.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.772 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -86.22 -20.4 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.79 -39.99 93.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.327 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.29 -42.05 99.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -31.65 49.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 111.023 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.3 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -59.05 -47.69 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.679 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -58.14 -54.04 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.566 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -57.47 -37.41 72.86 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.318 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -58.21 -49.48 76.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.8 -37.92 86.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.953 0.406 . . . . 0.0 110.234 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -57.15 -40.07 76.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.43 -37.29 82.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.066 0.46 . . . . 0.0 110.033 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -96.17 21.38 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.3 124.64 7.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.82 -14.56 79.94 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.37 92.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.662 0.268 . . . . 0.0 111.102 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -95.3 103.55 15.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.08 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -54.13 -43.21 70.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.104 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -67.66 144.49 55.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.91 161.16 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.821 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.3 t30 45.12 -135.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.569 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 16.6 tptp -144.18 139.11 28.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.3 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' GLU . 99.1 mm-40 -88.67 -1.12 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.706 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' 41' ' ' LYS . 9.5 tptm 62.85 -69.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLN . 5.7 mp0 -89.66 89.65 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.777 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.47 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -127.97 161.04 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.254 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.97 135.29 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.51 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -80.57 150.83 29.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -60.67 -41.77 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.833 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.82 60.01 0.81 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.78 -22.57 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.143 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.63 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.57 144.64 36.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 57' ' ' VAL . 25.2 m -55.63 137.64 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 111.026 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.14 -18.47 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.817 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.45 -39.44 87.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' CG2' ' A' ' 54' ' ' VAL . 56.3 t -61.36 -44.58 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.186 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -62.44 -42.42 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.681 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.967 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.0 p -64.93 -36.2 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.91 -36.71 84.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.36 87.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.47 -39.92 92.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.417 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.31 -43.97 95.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -63.95 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.105 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.4 p -61.75 -36.31 80.63 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 3.3 mm? -65.75 -37.49 86.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.42 -38.65 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -88.85 -7.17 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.417 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 97.6 m-20 54.46 46.43 24.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.4 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.26 -38.89 88.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.458 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -91.34 134.51 34.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 77' ' ' LYS . . . -150.41 150.74 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 77' ' ' LYS . 88.6 p -110.4 167.2 10.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mp -40.03 -43.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.421 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -60.26 -39.88 88.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.779 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.676 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 33.4 mmtp -75.69 -53.78 8.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 tp -36.52 -40.84 0.27 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.282 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.7 -41.16 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.649 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -64.32 -21.1 66.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.83 -7.89 55.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.335 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.02 -0.29 79.57 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.788 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.37 -44.87 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.498 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -108.95 164.57 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.072 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -54.29 132.35 43.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.728 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -83.46 -29.93 27.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.23 -39.39 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.719 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.31 -43.08 99.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.659 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.26 96.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.34 -39.19 89.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.291 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.08 -41.61 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.826 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -65.15 -38.8 91.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 110.163 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.12 -8.99 50.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.956 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.67 -27.77 69.47 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.699 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.73 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.83 -40.8 97.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.562 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.45 -39.78 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.36 -47.16 87.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.264 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -59.6 -35.96 75.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -69.05 -9.35 59.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.1 -19.75 57.28 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.32 91.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.985 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 100' ' ' GLY . 53.0 p30 -155.64 173.71 16.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.21 132.12 54.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.04 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -110.43 35.85 3.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.292 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.1 t -111.77 125.31 69.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -88.46 177.45 6.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.571 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 mttp 53.93 40.21 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.88 -26.92 67.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -154.64 134.64 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.241 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -76.67 135.76 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.66 -0.84 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.504 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.01 164.35 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.656 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.22 147.05 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.62 142.82 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -92.4 2.42 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.0 34.56 61.78 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -60.27 -38.88 84.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.291 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.73 88.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.108 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.78 145.62 55.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.59 ' CG1' HG23 ' A' ' 57' ' ' VAL . 4.6 p -50.41 126.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.729 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.5 -17.58 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.955 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.536 ' H ' HG22 ' A' ' 54' ' ' VAL . 58.3 tptt -59.9 -39.81 86.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.407 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.59 HG23 ' CG1' ' A' ' 54' ' ' VAL . 53.8 t -59.77 -46.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.41 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.16 -19.56 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 111.062 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.66 -44.35 93.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.945 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -63.36 -37.58 87.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.184 0.516 . . . . 0.0 110.155 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.14 -38.11 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.188 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.91 95.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.715 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -74.15 -32.27 63.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.725 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.81 -44.6 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -60.4 -48.03 83.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.827 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.7 m -61.06 -42.33 98.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.36 -49.33 69.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.54 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.143 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -77.39 -15.8 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.578 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.5 t-20 53.61 53.73 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.82 -39.22 88.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.3 106.66 8.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 110.729 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.63 125.27 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.5 p -72.22 164.57 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 75' ' ' LEU . 4.5 tt -60.81 -46.94 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -54.51 -48.67 71.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.165 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' LEU . 59.3 mtpt -62.7 -48.46 79.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.552 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.7 mp -38.65 -70.48 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.055 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.89 -38.71 73.17 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.784 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.27 66.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.1 t0 -94.56 2.91 55.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.2 14.07 82.96 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.92 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -62.11 -39.6 93.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.877 0.338 . . . . 0.0 111.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.98 159.53 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.329 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.6 p -74.44 154.88 38.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.137 0.494 . . . . 0.0 111.274 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -92.89 -31.46 14.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.624 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.61 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.83 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -57.66 -41.19 81.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.717 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.32 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.591 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -67.58 -52.37 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.811 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.59 86.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.246 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.22 -42.32 94.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.8 -41.67 82.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -49.62 -31.9 11.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.927 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.36 -48.19 79.68 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.735 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.75 -36.84 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.688 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -56.75 -37.48 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.611 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.21 -38.15 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.114 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -92.38 8.91 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.03 24.52 73.18 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.814 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.38 -40.81 99.16 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.81 95.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 105' ' ' LYS . 65.9 t30 -61.01 -32.31 71.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.343 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 71.48 -18.18 0.3 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.707 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 103' ' ' ASN . 72.3 mmtt -100.17 82.49 2.54 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.64 157.85 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.52 144.63 37.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.431 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.4 p30 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.616 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 40' ' ' THR . 10.1 tptp 73.87 9.83 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.54 -40.14 95.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 57.45 -119.86 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.298 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.76 102.41 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.532 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.62 -0.79 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.618 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -67.22 -17.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -88.07 115.34 25.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.397 . . . . 0.0 110.63 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -91.04 179.66 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.47 -38.86 92.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.214 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.47 -0.89 75.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -61.8 -41.14 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.038 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 -22.85 64.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.33 34.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.336 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 56' ' ' LYS . 97.1 t -77.19 126.98 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.785 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.5 p -66.54 -25.13 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.222 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.599 ' H ' HG12 ' A' ' 54' ' ' VAL . 12.1 tptm -56.68 -28.02 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.382 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.02 -19.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.785 HG13 ' O ' ' A' ' 55' ' ' VAL . 35.7 m -55.3 -18.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -40.03 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.758 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.28 -41.63 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.064 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.89 -37.21 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.377 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -39.13 91.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.35 -41.06 92.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.076 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 91.7 t80 -58.62 -47.42 84.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.4 m -61.0 -39.43 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.71 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.92 -39.05 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.617 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -61.52 -38.45 87.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.514 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.9 mmtp -90.18 -2.07 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.78 49.03 21.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -117.62 106.09 12.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.15 121.86 44.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.667 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.8 p -74.13 171.14 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.99 -48.25 80.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -57.09 -40.2 76.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.611 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 67.1 mmtt -64.47 -52.76 56.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mp -38.99 -63.39 0.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.018 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.95 -39.28 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -60.2 -35.36 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.4 t0 -88.33 3.45 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.271 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.76 78.62 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.89 -31.78 73.08 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.05 160.0 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.898 0.38 . . . . 0.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -70.05 147.48 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -90.23 -18.6 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.66 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.98 -42.71 99.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.13 -39.2 93.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.232 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.71 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -82.66 -28.41 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.4 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.44 80.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.818 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.99 -46.44 88.15 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.12 -47.86 81.98 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.421 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -59.08 -37.71 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.31 -0.156 . . . . 0.0 111.028 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -58.09 -49.16 77.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.992 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.447 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 67.2 m-80 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.208 0.528 . . . . 0.0 110.352 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 54.9 t0 -43.09 -28.27 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.496 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.3 -46.31 90.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.837 0.351 . . . . 0.0 110.53 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 96' ' ' ASN . 13.3 p-10 -93.06 5.35 51.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.245 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.38 8.25 54.93 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.4 4.77 85.24 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.5 92.01 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.456 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -152.37 173.59 14.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.552 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -115.2 66.35 0.69 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.02 2.54 56.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.28 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.704 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -146.42 178.0 8.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.704 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.496 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -154.97 167.28 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.1 147.82 52.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.486 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -127.24 144.96 50.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -88.77 0.59 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.272 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.29 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.0 m -49.08 147.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.08 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -100.1 114.02 27.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 111.231 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.1 t0 44.74 50.74 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.113 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -59.83 -46.33 89.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.543 ' HA2' ' HB3' ' A' ' 53' ' ' ALA . . . 82.19 0.38 89.63 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.73 84.96 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.656 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.29 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.626 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' HA2' ' A' ' 50' ' ' GLY . . . -72.24 149.99 44.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 56' ' ' LYS . 59.6 t -96.34 132.43 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 58' ' ' VAL . 33.8 m -44.55 -36.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.198 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' H ' HG12 ' A' ' 54' ' ' VAL . 56.0 mtmt -65.5 -38.99 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 59' ' ' GLU . 61.6 t -61.88 -40.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.713 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 55' ' ' VAL . 4.0 p -39.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.131 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 mt-10 -61.42 -40.45 94.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.8 p -63.5 -36.78 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 109.97 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -66.57 -28.16 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.527 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.69 81.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.99 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.68 -25.4 26.89 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.401 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -44.27 97.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.04 -47.77 84.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.55 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.08 -43.17 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.95 -45.5 94.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.069 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.84 -37.71 88.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.593 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -68.88 -36.91 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 58.56 50.47 9.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.65 -39.14 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.896 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -150.31 115.85 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.76 158.97 44.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.547 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -110.28 156.85 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.789 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.04 -13.78 60.54 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.466 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.49 -35.76 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.416 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.76 -25.19 67.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 78' ' ' LEU . 96.6 mt -88.88 -44.1 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -52.02 -35.13 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.611 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.12 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.478 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -76.27 -19.31 58.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 109.674 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.15 81.18 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.353 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.74 -39.74 95.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.395 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 pt -84.76 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.062 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -74.54 129.97 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.3 -13.43 46.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.061 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -69.84 -33.2 71.97 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.202 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.62 -27.62 67.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.269 0.557 . . . . 0.0 110.015 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.13 89.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 2.6 mptp? -60.59 -41.58 95.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.02 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.487 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -60.22 -46.88 88.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.293 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -60.37 -38.48 84.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.953 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.74 -39.37 88.45 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.961 -0.295 . . . . 0.0 111.531 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -59.32 -41.32 88.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.667 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -60.98 -43.46 98.8 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.06 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.39 -46.55 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -63.14 -39.09 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 0.0 109.938 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.57 -7.35 54.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.614 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.56 168.05 54.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.97 6.99 73.28 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.02 4.9 21.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.885 0.374 . . . . 0.0 110.485 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.2 133.56 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -70.5 160.97 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.713 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 107' ' ' ASN . 57.1 mtmt 51.88 -166.2 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 t 47.63 12.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.657 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 105' ' ' LYS . 98.9 m-20 -72.96 -13.7 61.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.683 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.558 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -52.32 152.29 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.1 167.12 11.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 60.22 65.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -62.69 164.34 7.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.176 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.11 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.912 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.45 124.69 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.818 0.342 . . . . 0.0 110.437 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 48' ' ' ASP . 55.7 p30 -85.42 179.03 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -173.62 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.336 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.95 1.52 88.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.16 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.95 84.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.38 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.76 143.75 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 56' ' ' LYS . 87.4 t -70.14 135.11 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.023 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -39.78 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' H ' HG12 ' A' ' 54' ' ' VAL . 52.8 tptt -58.46 -39.4 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.306 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.58 -42.1 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.12 -19.35 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.28 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -48.22 -20.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.666 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.342 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.43 -28.03 68.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.305 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.53 83.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.964 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.21 95.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.456 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 64' ' ' LEU . 8.0 mp -62.83 -39.34 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.425 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.524 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 89.5 t80 -59.51 -48.48 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.56 -42.57 99.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 110.423 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.91 -43.72 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.369 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.26 -42.35 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.524 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.4 mmtp -85.2 -5.62 59.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 54.86 49.58 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.162 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -83.85 0.84 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.759 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 48.3 p-10 -160.14 130.9 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.031 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.55 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -157.0 158.53 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.562 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -82.9 159.95 22.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.82 -45.81 50.47 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -60.06 -42.97 95.64 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.356 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 80' ' ' ALA . 98.7 mttt -67.84 -50.34 57.17 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.75 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -38.8 -44.34 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.753 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.46 -41.89 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.475 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -77.09 -13.0 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.612 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.39 5.71 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.193 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.28 -0.94 78.31 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.222 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.0 -41.82 95.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.477 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 84' ' ' ILE . 37.3 pt -135.78 142.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.9 p -113.8 138.2 50.6 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.003 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.75 -40.84 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.19 -43.56 98.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.574 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -66.51 -40.37 89.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.778 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.31 82.27 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.504 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -54.16 -35.18 61.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.931 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.2 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.29 -47.48 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -59.89 -39.15 84.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.45 -38.39 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -57.57 -44.65 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.6 -42.39 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.468 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.458 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 34.4 t70 -58.73 -34.97 71.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.152 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.21 -5.48 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.416 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 62.6 t-20 -62.0 -34.51 76.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.374 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.11 152.49 20.38 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 104' ' ' ARG . . . -90.22 -1.41 75.57 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.27 91.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.556 . . . . 0.0 110.113 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' CB ' ' OD1' ' A' ' 97' ' ' ASP . 30.2 m120 -70.53 -36.36 73.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.64 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.499 ' NH1' ' ND2' ' A' ' 107' ' ' ASN . 17.3 ptm180 -156.79 175.42 14.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.712 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -75.43 -177.29 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.443 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 107' ' ' ASN . 12.9 p -55.75 -38.76 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.499 ' ND2' ' NH1' ' A' ' 104' ' ' ARG . 55.5 t30 64.56 -68.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 106' ' ' VAL . 65.3 t0 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -89.86 5.63 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.535 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.521 ' NE2' ' OE2' ' A' ' 44' ' ' GLU . 64.8 tt0 -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' A' ' 48' ' ' ASP . 23.9 mtpp 54.57 55.79 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 42' ' ' GLN . 48.0 mm-40 -57.59 -102.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.839 0.352 . . . . 0.0 110.598 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.36 -2.31 57.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.22 127.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 0.0 110.661 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -95.29 143.79 26.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' A' ' 43' ' ' LYS . 98.8 m-20 -62.89 155.99 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.435 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -59.03 -40.23 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.975 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.36 44.17 5.05 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.432 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.09 -38.83 87.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.39 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 158.31 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 57' ' ' VAL . 69.8 t -57.67 129.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.862 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -80.17 -24.31 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.26 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.36 -42.68 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -62.71 -36.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.518 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.651 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.55 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.0 p -64.72 -37.17 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.166 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.62 -37.6 88.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.75 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.24 86.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -43.95 95.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.169 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.47 -43.21 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 109.966 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.61 -46.02 91.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.585 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.27 -43.52 98.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -39.96 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -69.05 -22.73 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.464 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.34 45.37 25.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.32 -38.44 89.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.56 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.13 99.72 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -75.55 176.01 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.563 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.29 -49.02 75.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -52.52 -44.1 65.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 73.6 mmtt -62.61 -51.46 67.22 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 mp -39.02 -64.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.431 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -55.3 -37.72 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -56.64 -26.59 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.252 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.85 2.19 53.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.155 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.95 15.88 79.89 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -62.97 -36.07 82.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.421 0.153 . . . . 0.0 111.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.1 pt -125.92 165.15 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.762 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.46 ' OG1' ' CG ' ' A' ' 88' ' ' GLN . 71.4 p -68.91 136.6 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.209 0.528 . . . . 0.0 111.324 -179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.611 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.52 -39.55 93.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.796 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CG ' ' OG1' ' A' ' 85' ' ' THR . 98.2 mm-40 -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.901 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.9 85.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.023 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -80.52 -21.67 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.138 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.02 -38.58 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 111.007 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.48 -45.15 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.557 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -49.32 -25.81 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.624 0.249 . . . . 0.0 110.865 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -53.3 -47.53 69.13 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.11 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 53.8 p30 -50.91 -23.19 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.037 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 53.3 t0 -58.89 -21.21 57.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.26 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -59.86 -37.92 80.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.273 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -61.71 -33.82 74.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.9 -2.35 84.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -90.66 5.54 82.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.7 94.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.969 0.414 . . . . 0.0 110.434 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -47.29 -68.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.926 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.16 71.97 0.43 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.257 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' VAL . 57.6 mtpt -90.45 -4.79 56.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.028 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' LYS . 0.8 OUTLIER 31.17 68.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.368 0.418 . . . . 0.0 111.695 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -85.2 179.84 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.606 179.895 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -152.07 135.81 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.081 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -95.53 99.09 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.692 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -104.78 125.69 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -92.47 99.93 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.145 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.27 99.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.19 159.36 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -79.46 155.1 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 13.8 p-10 -142.97 -65.72 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.75 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 98.2 mttt -62.71 -39.94 95.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 66.13 25.38 72.2 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -62.15 -29.09 70.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.89 99.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.202 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -111.05 153.99 24.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 57' ' ' VAL . 99.8 t -93.42 119.63 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.405 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.4 -25.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.418 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -59.94 -39.68 86.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 54' ' ' VAL . 34.5 m -60.59 -39.01 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 57' ' ' VAL . 1.3 p -79.44 -29.26 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.832 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -43.95 96.67 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.662 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.2 p -66.35 -35.44 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.052 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -64.12 -37.45 87.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.4 96.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.26 -41.65 96.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.194 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.99 -41.21 95.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.841 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.11 -49.02 79.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.5 p -65.65 -39.17 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.68 -45.43 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.39 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.25 -22.58 61.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.746 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 60.06 60.25 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.309 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.38 -38.08 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 65.5 t0 -49.99 143.64 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -48.08 110.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -91.22 174.16 7.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 mt -82.46 -24.59 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 83.0 mtp180 -61.41 -40.51 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 -61.36 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.153 0.501 . . . . 0.0 109.986 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -38.73 -68.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.1 tt0 -55.51 -41.92 73.78 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.76 -178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 76' ' ' ARG . . . -59.86 -37.41 79.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.461 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.59 -2.46 50.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.426 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.54 16.15 80.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -62.23 -38.07 87.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.17 159.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.474 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -65.86 145.71 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -87.0 -33.96 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.368 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -57.67 -34.33 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.643 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.52 -43.38 97.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.75 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -59.62 -38.34 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.78 -44.67 28.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.806 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.04 -47.13 86.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.487 0.66 . . . . 0.0 109.688 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.07 -12.34 26.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.377 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.51 -29.42 70.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.429 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -63.36 -42.95 98.92 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.413 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -64.83 -41.01 96.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.63 -38.67 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.351 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.48 -45.43 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.42 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.444 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 19.0 t-20 -88.76 -3.8 58.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.282 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.18 157.06 32.49 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.07 -40.3 98.74 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.98 -17.28 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.605 0.24 . . . . 0.0 111.234 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -60.69 -44.69 96.24 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.918 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.37 160.41 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.376 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 38.92 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.95 150.85 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.418 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 108' ' ' ASP . 30.5 m120 56.71 29.93 16.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.958 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 107' ' ' ASN . 94.2 m-20 . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.173 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -91.76 126.03 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 52.89 -165.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -151.47 158.6 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -72.91 147.63 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.622 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.312 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.668 HG22 ' N ' ' A' ' 47' ' ' ASN . 14.6 p -94.24 172.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.668 ' N ' HG22 ' A' ' 46' ' ' VAL . 54.0 p30 -76.73 -179.62 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.469 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -168.36 156.35 8.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -75.51 5.08 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.45 7.13 52.21 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.92 -39.62 90.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.113 0.482 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.91 -32.73 69.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.558 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.38 141.1 12.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.279 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 57' ' ' VAL . 93.2 t -87.45 123.29 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.46 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.64 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.587 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.91 -18.9 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.02 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -48.83 -24.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.33 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.28 -21.61 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.059 0.457 . . . . 0.0 110.352 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.88 -35.48 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.7 p -59.16 -32.4 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.84 -40.72 98.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 109.918 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.59 -36.04 75.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.018 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.09 -40.28 89.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -67.85 -35.81 79.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 110.325 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ASN . 75.4 m -61.79 -37.64 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.314 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.52 -39.72 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.786 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.16 -38.15 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.796 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.35 -20.67 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 109.869 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' SER . 55.1 t30 51.43 24.85 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 42.83 17.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASN . 29.5 t0 -161.2 161.39 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.532 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -143.78 145.98 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.291 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.825 ' O ' HD13 ' A' ' 78' ' ' LEU . 41.8 t -63.77 -170.61 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 111.222 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' N ' ' OG ' ' A' ' 74' ' ' SER . 7.5 mp -90.48 -41.96 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.782 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.72 -43.77 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 81' ' ' ASP . 57.4 mtmt -64.55 -52.73 56.18 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.667 -0.813 . . . . 0.0 108.914 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 74' ' ' SER . 3.4 mp -39.95 -59.9 1.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.858 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.98 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.61 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -21.32 63.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.9 m-20 -93.79 5.74 50.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.315 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.96 88.36 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.675 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -63.01 -39.93 96.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 109.942 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.1 pt -135.45 140.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.587 ' HG1' ' CD ' ' A' ' 88' ' ' GLN . 71.0 p -115.14 131.61 56.87 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.637 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.2 -41.25 96.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.385 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.587 ' CD ' ' HG1' ' A' ' 85' ' ' THR . 1.8 pt20 -89.47 -19.93 24.5 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.993 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.3 89.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.733 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -74.84 -21.11 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.757 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.11 -48.07 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.14 -40.78 95.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.967 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -36.31 83.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.265 . . . . 0.0 111.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.11 -38.46 91.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.78 -40.67 96.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -64.54 -44.0 92.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.54 -42.87 99.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.753 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.1 -30.46 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.446 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.47 88.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.24 -7.34 67.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.22 86.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.0 110.615 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -79.88 108.02 13.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 106' ' ' VAL . 99.8 mtt180 -131.72 161.33 33.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.501 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -60.07 69.14 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.14 0.495 . . . . 0.0 111.103 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 104' ' ' ARG . 72.7 t -70.16 -40.28 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.545 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -77.83 -173.15 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.717 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.596 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.95 -28.16 64.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.344 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -71.05 -25.41 62.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.419 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 58.41 36.03 25.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.11 150.63 40.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.225 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.71 27.48 1.75 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.472 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -26.83 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -79.79 -179.77 7.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.208 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 49' ' ' LYS . 65.8 t0 -60.56 136.52 58.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 98.9 mttt -71.88 -11.63 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.703 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.19 24.41 8.98 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.755 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.99 -5.53 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.71 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.3 142.65 42.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.481 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.655 ' O ' HG12 ' A' ' 57' ' ' VAL . 27.2 m -111.75 160.79 10.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.877 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 58' ' ' VAL . 34.3 m -65.81 -21.68 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.86 -31.53 72.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.437 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 54' ' ' VAL . 7.6 p -49.06 -21.42 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 55' ' ' VAL . 31.0 m -60.83 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 98.3 mt-10 -61.46 -39.12 89.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -60.93 -42.07 97.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -63.41 -28.61 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -60.71 -39.36 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.555 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.9 -39.2 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.7 -41.13 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.142 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -59.04 -47.2 86.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.645 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 m -60.91 -39.6 90.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.228 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.9 -43.44 98.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.849 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.69 -39.16 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -68.86 -18.62 64.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.182 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 56.32 40.75 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -84.09 58.06 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -80.26 166.89 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 158.06 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.458 ' H ' ' CE ' ' A' ' 77' ' ' LYS . 38.1 t -84.31 171.32 12.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.02 -17.58 60.48 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.453 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -85.61 -34.5 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.729 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CE ' ' H ' ' A' ' 74' ' ' SER . 56.0 mtmt -70.71 -19.82 62.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.66 -45.89 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -52.93 -36.48 59.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.37 86.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.971 -0.691 . . . . 0.0 109.251 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -73.86 -24.32 59.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.63 178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.21 17.42 80.01 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.08 -39.89 96.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.1 pt -57.29 168.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.621 HG23 ' H ' ' A' ' 88' ' ' GLN . 8.8 t -61.3 143.83 54.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 111.248 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.65 -37.49 86.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.4 -39.82 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.504 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.621 ' H ' HG23 ' A' ' 85' ' ' THR . 72.1 tp60 -62.24 -40.03 94.83 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.701 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.37 94.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -59.81 -43.3 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.322 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.98 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.124 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.15 -47.51 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.55 -41.29 94.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.232 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.57 -39.1 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.452 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE2' ' ND2' ' A' ' 99' ' ' ASN . 89.5 t80 -59.09 -46.55 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.683 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.42 -41.85 94.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.11 -41.61 97.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -65.14 -22.14 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' CE2' ' A' ' 95' ' ' TYR . 98.8 m-20 -87.21 -3.81 59.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.68 120.01 5.03 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.5 2.58 65.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.74 99.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.061 0.458 . . . . 0.0 110.15 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 54.5 t30 55.23 -178.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.175 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -102.14 -90.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.63 24.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.832 0.349 . . . . 0.0 110.713 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.536 HG22 ' H ' ' A' ' 108' ' ' ASP . 10.3 p -137.74 138.81 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.768 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.536 ' H ' HG22 ' A' ' 106' ' ' VAL . 65.8 t0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.579 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -133.48 141.32 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.298 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -131.79 122.22 25.43 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -75.13 -12.2 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 46' ' ' VAL . 77.7 mm-40 56.12 66.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.18 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.12 29.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.229 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.511 ' H ' ' C ' ' A' ' 44' ' ' GLU . 33.9 m -102.23 8.0 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.992 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.13 157.68 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.861 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.16 0.76 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.513 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.13 -39.43 90.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.296 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.56 3.3 88.48 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.71 -42.7 97.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.64 86.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.52 141.84 46.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.634 ' O ' HG12 ' A' ' 57' ' ' VAL . 94.4 t -110.59 131.42 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.603 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.39 -41.81 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -62.86 -21.64 66.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 54' ' ' VAL . 4.1 p -50.3 -19.87 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 0.0 110.192 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.41 -43.12 93.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.939 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.78 -41.98 92.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.698 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -64.4 -39.69 94.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.492 . . . . 0.0 109.689 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -62.04 -37.11 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.91 91.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.53 -42.19 98.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.104 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.11 -40.98 95.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.98 -47.64 84.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.228 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.3 m -60.26 -42.34 95.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.959 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.75 -38.9 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.83 -41.26 97.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -89.48 -11.2 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.9 t30 50.92 18.72 0.55 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' ASN . 78.4 mm-40 36.17 -114.8 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.66 92.63 1.86 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.99 149.38 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.8 t -79.99 164.53 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -62.3 -41.11 98.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.03 -39.32 83.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.759 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.23 -19.42 64.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.596 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 78' ' ' LEU . 92.3 mt -91.01 -59.19 2.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HG2' HD11 ' A' ' 84' ' ' ILE . 97.8 mt-30 -56.68 -36.19 69.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.706 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.8 84.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -81.46 -28.52 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.368 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.16 76.1 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.554 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.56 -44.95 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.04 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.411 HD11 ' HG2' ' A' ' 79' ' ' GLN . 26.3 pt -61.71 -179.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 0.0 111.361 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.42 135.15 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.647 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -68.06 -39.88 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.19 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.07 -39.82 93.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.351 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.04 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.23 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.97 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.896 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.13 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.495 ' CE2' ' ND2' ' A' ' 96' ' ' ASN . 91.4 t80 -60.29 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.604 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -61.45 -41.94 97.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.418 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.98 0.419 . . . . 0.0 110.461 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 91.4 t80 -60.78 -46.34 90.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.48 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.495 ' ND2' ' CE2' ' A' ' 92' ' ' TYR . 71.5 m-80 -61.84 -40.99 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.49 -45.55 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.3 -44.71 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.584 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.503 ' OD1' ' CZ ' ' A' ' 95' ' ' TYR . 32.7 m120 -71.43 -19.94 62.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.95 -173.19 18.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.57 4.97 31.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.29 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 58.19 15.04 3.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.335 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -106.83 -30.88 8.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.576 ' C ' HG23 ' A' ' 106' ' ' VAL . 57.4 mtpt -84.49 154.71 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.982 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.576 HG23 ' C ' ' A' ' 105' ' ' LYS . 2.1 t 73.47 52.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.972 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -95.17 16.49 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.04 0.448 . . . . 0.0 110.163 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.509 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.16 -40.59 96.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.69 -15.98 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.419 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.4 tptt 40.06 -144.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.292 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -140.73 129.46 22.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.344 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.47 96.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.9 t -109.43 122.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.275 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -85.33 162.0 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.259 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.67 135.77 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -96.29 -4.57 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.542 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.63 7.29 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -100.16 24.46 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.08 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.29 -23.35 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.696 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.77 140.23 42.67 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 56' ' ' LYS . 95.4 t -72.1 139.23 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 111.078 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 55' ' ' VAL . 7.2 p -51.01 -9.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.064 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 54' ' ' VAL . 23.3 pttp -49.52 -27.97 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.873 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.62 -46.33 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 109.879 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.47 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.676 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.87 -39.86 90.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.571 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.4 m -61.96 -40.07 94.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.82 -29.5 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.68 -9.73 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.766 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.0 -42.31 99.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.89 -41.01 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.405 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.58 -48.95 79.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.369 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -63.96 -39.19 93.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.739 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -46.24 90.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.761 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.61 97.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.243 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -68.36 -40.35 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.274 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ASP . 53.8 t30 51.7 24.98 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 39.91 21.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.124 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.3 m-20 -96.2 138.92 33.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.511 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 154.28 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.233 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.418 ' H ' ' HE3' ' A' ' 77' ' ' LYS . 43.7 t -85.45 161.59 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.106 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.75 -17.83 62.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.355 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -84.05 -37.06 22.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HE3' ' H ' ' A' ' 74' ' ' SER . 56.4 mtmt -70.73 -18.91 62.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.363 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.03 -57.57 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.6 tm0? -49.28 -26.29 2.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.74 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.58 -16.64 61.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.307 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.32 6.76 80.74 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.43 -35.7 81.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.33 157.86 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.32 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.2 p -79.46 158.04 27.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.159 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 51.6 mp0 -81.03 -36.94 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.705 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -68.06 -37.66 81.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -65.06 -41.0 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.12 81.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -82.79 -25.89 32.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 0.0 110.214 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.76 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.992 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.34 -46.9 87.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.917 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.58 -47.72 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.43 -39.01 85.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.656 0.265 . . . . 0.0 111.269 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -58.37 -49.05 78.62 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.322 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.411 HD21 ' CA ' ' A' ' 101' ' ' GLY . 50.1 t30 -61.57 -42.79 99.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.253 0.549 . . . . 0.0 110.181 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 60.1 t0 -45.15 -31.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.642 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -61.84 -38.93 90.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.91 0.386 . . . . 0.0 110.2 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.83 13.55 32.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 41.63 46.31 4.69 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' CA ' HD21 ' A' ' 96' ' ' ASN . . . -61.08 -23.81 62.25 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.99 -66.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.902 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.8 t30 54.26 49.65 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 59.98 -170.84 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.645 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -129.97 10.83 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 107' ' ' ASN . 7.4 p -52.34 -44.04 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.456 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.559 ' N ' HG13 ' A' ' 106' ' ' VAL . 29.2 t-20 -82.39 118.35 23.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.084 0.469 . . . . 0.0 110.692 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.608 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HE2' ' H ' ' A' ' 45' ' ' ALA . 26.1 pttm -162.72 147.63 11.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.041 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -79.54 -14.49 58.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.345 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 52.18 67.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' H ' ' HE2' ' A' ' 41' ' ' LYS . . . -58.77 -38.61 78.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.95 154.93 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.384 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -81.84 -179.33 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -150.67 168.24 24.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -103.61 5.84 36.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 75.98 21.6 75.91 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -61.63 -39.23 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.576 0.226 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.71 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.63 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -110.88 115.43 29.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.381 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' HB ' ' A' ' 57' ' ' VAL . 2.6 m -110.76 119.76 60.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.643 ' O ' HG22 ' A' ' 58' ' ' VAL . 69.9 t -66.0 -41.89 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.323 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.87 -15.9 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.982 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.554 ' HB ' HG23 ' A' ' 54' ' ' VAL . 9.0 p -49.27 -34.46 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 55' ' ' VAL . 33.6 m -78.33 -32.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.692 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.31 -40.28 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.3 p -62.41 -39.29 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.973 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.283 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.25 94.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.744 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.36 -39.58 94.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.371 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -46.28 90.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.66 -48.58 81.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -63.2 -39.34 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.84 -50.64 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.255 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.25 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.4 -41.5 89.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.102 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 27.6 t-20 53.25 23.13 3.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 39.68 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ASN . 68.2 m-20 -123.16 130.8 53.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.77 142.74 44.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.833 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.3 p -80.49 170.09 16.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.593 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 75' ' ' LEU . 10.9 mp -65.7 -20.45 66.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.112 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.54 -28.8 30.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 0.0 109.995 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -67.98 -28.79 67.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.3 -48.18 7.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.05 -33.64 65.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.086 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.28 87.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.99 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.61 14.84 77.29 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -61.67 -39.38 91.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -122.82 160.19 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.231 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 88' ' ' GLN . 9.4 t -70.93 150.13 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -81.77 -28.4 33.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.502 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.3 -38.7 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.812 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.477 ' H ' HG23 ' A' ' 85' ' ' THR . 64.9 tt0 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.7 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.67 93.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.81 -37.32 81.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.15 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.561 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -62.08 -46.81 87.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.589 . . . . 0.0 109.686 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.34 -24.72 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.6 -34.23 76.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.517 ' CE2' ' ND2' ' A' ' 99' ' ' ASN . 90.3 t80 -58.81 -46.27 88.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.398 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.28 -40.52 86.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.33 -41.6 93.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.588 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.52 -40.17 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.099 0.476 . . . . 0.0 109.957 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' ND2' ' CE2' ' A' ' 95' ' ' TYR . 68.3 m-80 -69.75 -9.52 54.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.628 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 132.57 161.1 9.83 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.3 -40.37 98.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.64 -70.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.38 51.58 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 105' ' ' LYS . 91.8 mtm180 -59.78 149.15 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.044 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 104' ' ' ARG . 99.4 mttt -31.69 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.737 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.61 -44.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 104' ' ' ARG . 98.6 m-20 -72.13 150.69 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.407 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.462 179.75 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 43' ' ' LYS . 2.3 m . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.43 -44.2 95.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.261 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -72.26 -37.1 69.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' THR . 98.8 mttt -133.67 145.31 49.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.315 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -121.02 134.03 55.28 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.459 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.3 89.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.3 t -99.08 91.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.76 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -101.82 110.49 22.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.51 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.37 101.95 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.68 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -90.78 -14.33 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.357 . . . . 0.0 110.366 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.55 19.53 73.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -61.11 -39.08 88.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.75 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.227 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.8 143.18 58.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 56' ' ' LYS . 94.6 t -73.92 138.85 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.496 . . . . 0.0 110.743 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 55' ' ' VAL . 11.4 p -49.08 -8.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.987 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' H ' HG12 ' A' ' 54' ' ' VAL . 26.3 pttm -52.82 -14.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.039 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.82 -46.0 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.242 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 55' ' ' VAL . 9.3 m -75.33 -25.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.879 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.99 -42.35 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.062 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.7 m -65.5 -40.41 93.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.067 0.46 . . . . 0.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.684 ' NE2' ' CE1' ' A' ' 65' ' ' TYR . 5.4 tm0? -63.89 -36.05 82.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.12 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.88 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.53 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.684 ' CE1' ' NE2' ' A' ' 61' ' ' GLN . 21.3 m-85 -64.18 -39.47 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ASN . 92.6 p -62.37 -36.67 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.586 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.7 tp -62.07 -46.47 88.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.205 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -64.36 -40.65 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -76.89 -28.12 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 66' ' ' SER . 70.8 m-80 58.62 21.86 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.905 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 43.48 34.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -158.96 160.14 35.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 144.47 56.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.414 ' H ' ' HD2' ' A' ' 77' ' ' LYS . 81.6 p -83.48 173.77 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.194 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.77 -37.46 86.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.83 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -67.78 -39.78 84.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.296 -0.561 . . . . 0.0 109.58 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' HD2' ' H ' ' A' ' 74' ' ' SER . 68.7 mttm -70.43 -21.22 62.84 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.464 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.1 -63.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -48.85 -38.73 23.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.38 90.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.218 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.57 -23.69 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.71 5.96 58.5 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.484 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -36.89 84.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.947 0.373 . . . . 0.0 111.523 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 pt -115.97 155.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.989 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 p -79.31 160.32 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -90.44 -40.49 12.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.958 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.71 -35.15 78.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.919 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.4 -43.78 98.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.938 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.64 83.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.168 0.509 . . . . 0.0 110.459 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -73.64 -50.87 18.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.76 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.22 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -59.37 -44.74 92.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.06 -40.75 81.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 98.5 mt-10 -58.58 -36.3 73.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.018 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.06 -44.78 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.492 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 98' ' ' LYS . 28.2 m120 -61.94 -38.45 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.437 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -41.12 -19.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -59.45 -18.64 41.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -104.47 -3.56 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.225 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.49 -174.49 40.17 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.45 7.64 77.66 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.36 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.586 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -73.62 -179.72 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.989 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -65.43 152.13 44.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.218 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -111.45 147.08 36.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.88 -57.44 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -105.37 -18.17 14.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.689 -179.886 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.5 p . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 121.26 0.553 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 58' ' ' VAL . 68.2 t -66.23 -39.06 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.622 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.46 -20.82 58.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.061 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.2 p -51.74 -41.29 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.997 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' HG13 ' A' ' 57' ' ' VAL . 6.2 p -74.78 -30.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.37 96.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.96 -42.4 99.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.852 0.358 . . . . 0.0 110.629 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.66 -28.23 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.65 87.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.471 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.17 96.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 64' ' ' LEU . 8.8 mp -62.3 -39.19 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.385 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.94 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -62.88 -40.0 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 59.9 tp -61.39 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.38 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.98 -36.95 83.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -82.59 -21.06 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.57 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 81.0 m-20 53.15 40.49 31.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 72.8 mm-40 -63.04 -40.84 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.705 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 71' ' ' GLU . 99.1 m-20 -139.91 132.47 28.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.08 142.47 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.2 p -73.58 165.53 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.612 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.22 -47.58 83.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -50.06 -50.56 47.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.095 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.74 -48.45 79.15 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.188 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.592 HD23 ' CG2' ' A' ' 84' ' ' ILE . 2.0 mp -39.89 -67.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.983 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.01 -38.59 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.751 0.31 . . . . 0.0 110.406 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.12 81.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.16 -11.84 48.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 109.825 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.15 19.7 79.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -62.09 -40.84 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.921 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.592 ' CG2' HD23 ' A' ' 78' ' ' LEU . 19.0 pt -68.22 148.09 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.034 0.445 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 88' ' ' GLN . 39.4 p -80.46 168.18 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.225 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.73 -38.38 84.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.62 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.24 -40.71 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.071 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 85' ' ' THR . 2.6 mp0 -77.42 -21.79 52.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.288 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.13 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.8 -23.04 62.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.055 0.455 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.35 -14.09 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.629 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.548 -178.858 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 56' ' ' LYS . 57.7 t . . . . . 0 CA--C 1.529 0.135 0 CA-C-O 120.811 0.338 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.4 m -39.87 -23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.537 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.598 ' H ' HG12 ' A' ' 54' ' ' VAL . 26.8 mmtp -62.0 -40.16 94.72 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.237 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.32 -44.65 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.3 -46.76 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.73 -38.94 92.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.743 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -60.8 -47.92 84.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.026 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -67.84 -39.42 83.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.46 -23.98 66.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.705 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.61 -42.2 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.537 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.77 -40.06 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.618 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' LYS . 68.1 m-85 -70.75 -28.31 64.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.1 t -58.85 -41.17 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.809 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.16 -39.74 91.23 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.721 -0.392 . . . . 0.0 109.992 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -86.59 -17.12 34.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' TYR . 20.4 tptp -70.11 -35.69 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.5 m120 57.52 51.02 10.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.317 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.79 -40.12 87.22 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.154 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 57.4 p-10 -152.08 145.88 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.514 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.54 154.11 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.155 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.6 p -81.42 167.94 18.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.744 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.84 -39.78 72.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.905 0.383 . . . . 0.0 110.917 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.65 -22.32 66.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.419 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -56.08 3.36 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.85 -39.68 39.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.04 90.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.46 -26.58 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.612 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.69 16.52 75.24 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.786 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.3 pt -59.15 174.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.486 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.7 p -72.38 157.36 37.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.26 0.552 . . . . 0.0 111.595 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -70.16 -39.56 75.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.063 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -45.07 95.12 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.218 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.36 -40.15 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.653 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.37 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.2 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.51 -39.86 95.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.121 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.38 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.208 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.7 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.542 179.607 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t . . . . . 0 N--CA 1.46 0.07 0 CA-C-O 120.879 0.371 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.87 -42.33 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.83 -41.12 90.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.27 -43.84 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.83 -44.66 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.11 -38.88 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.201 0.524 . . . . 0.0 110.619 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.0 p -62.96 -19.76 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.537 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.21 -46.58 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.842 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.94 81.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.588 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.89 -38.83 79.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.61 -31.44 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.497 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 t -60.68 -39.44 88.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.597 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.32 -43.28 88.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.339 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.82 -42.45 97.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.8 -7.92 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.195 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.72 18.08 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.621 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 42.86 62.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.409 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -159.99 161.59 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.17 131.48 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.4 p -82.27 164.54 21.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.73 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.51 -29.92 41.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.1 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.99 -47.44 85.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.282 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' ASP . 62.3 mttp -61.6 -63.99 1.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.611 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 mp -38.43 -68.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.235 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -54.66 -43.09 72.09 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.587 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.14 -28.07 69.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 109.854 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 77' ' ' LYS . 97.0 m-20 -88.86 -3.99 58.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.83 7.4 85.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -62.06 -38.6 89.38 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -124.92 162.09 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.47 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 78.7 p -73.04 149.57 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.542 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.16 -32.48 19.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.427 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.05 -41.61 97.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.071 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.62 -40.46 95.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.692 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.69 -25.07 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.28 80.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.768 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.3 t80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.133 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.639 ' O ' HG12 ' A' ' 57' ' ' VAL . 80.8 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.807 ' O ' HG22 ' A' ' 58' ' ' VAL . 60.5 t -63.56 -42.0 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.046 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -56.0 -22.5 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 54' ' ' VAL . 6.1 p -53.32 -25.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.325 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 55' ' ' VAL . 33.2 m -65.02 -21.78 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.696 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.68 -38.28 84.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -62.55 -40.49 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.23 -39.1 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.437 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.408 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.01 -41.96 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.427 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.55 -39.98 92.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.157 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.98 -39.94 95.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.4 t -59.3 -45.02 92.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.23 -39.62 95.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.947 0.404 . . . . 0.0 110.142 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.44 -39.18 93.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -105.94 8.04 32.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 61.8 t30 48.42 44.96 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.38 -39.99 94.99 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.754 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -131.42 123.59 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -153.78 153.99 33.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.45 . . . . 0.0 111.04 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -75.84 154.96 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.741 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.49 -44.13 97.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.53 -44.7 81.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.804 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 59.7 mtpt -66.73 -50.64 62.15 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.873 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 73' ' ' ALA . 1.9 mp -38.61 -68.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.261 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -53.27 -36.74 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -59.6 -37.24 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.728 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -84.82 -10.35 57.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.91 21.68 79.64 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -60.71 -38.39 84.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.793 0.33 . . . . 0.0 110.758 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.4 pt -85.83 169.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 85' ' ' THR . 0.0 OUTLIER -56.25 126.64 27.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.436 . . . . 0.0 111.089 -178.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -72.42 -19.24 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.3 -39.58 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.581 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.23 -39.75 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.491 -0.484 . . . . 0.0 109.846 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.41 88.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.159 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.68 -38.75 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.648 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.51 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.38 . . . . 0.0 110.399 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.1 t80 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.678 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.825 0.345 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.03 -32.05 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.76 -46.21 91.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.17 -43.86 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.15 -44.74 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.58 -41.92 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.846 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -42.01 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.47 . . . . 0.0 110.42 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -37.68 87.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.85 -41.07 95.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.562 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.12 -41.16 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -68.99 -37.81 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.673 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.5 p -63.07 -37.71 88.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.06 -49.4 65.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.8 97.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -68.02 -38.86 83.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.582 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 72' ' ' ASP . 63.7 t30 52.46 45.64 28.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.43 66.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.575 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 70' ' ' ASN . 35.5 t0 -160.13 147.86 16.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.545 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.1 139.73 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.523 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.0 t -111.96 158.4 19.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.977 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.7 tp -56.15 -45.42 79.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -59.78 -41.55 91.35 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.466 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.69 -46.72 81.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.085 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 75' ' ' LEU . 65.3 mt -46.61 -48.84 19.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.474 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -58.43 -43.32 88.66 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.83 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.23 66.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -89.71 -3.32 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.061 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.94 78.89 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -63.59 -37.96 89.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.487 0.184 . . . . 0.0 111.29 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -119.81 161.0 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.991 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.9 t -67.2 148.33 51.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -90.65 -25.0 20.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.313 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.26 -42.82 87.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.4 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.613 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -74.36 -43.39 56.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.79 -50.06 69.43 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.821 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.52 -179.747 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.971 0.415 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 58' ' ' VAL . 58.4 t -61.8 -42.79 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.119 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.36 -40.85 92.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.882 0.372 . . . . 0.0 111.082 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLU . 53.1 t -61.08 -41.22 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.727 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 55' ' ' VAL . 1.3 p -44.6 -19.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.875 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.7 mt-10 -61.98 -40.64 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.55 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.2 p -63.41 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 0.0 110.179 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.37 -27.95 64.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.507 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.52 91.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.76 -44.2 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 64' ' ' LEU . 10.1 mp -63.01 -40.28 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.518 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -61.89 -40.8 96.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 86.8 mt -62.73 -41.19 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.95 -39.31 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.524 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -68.45 -33.81 74.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 80.0 m-20 56.97 49.36 14.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.744 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.51 -39.87 89.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.419 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.2 144.93 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.1 p -110.21 162.79 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.23 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.0 tp -47.58 -45.41 27.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -60.21 -40.67 90.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.965 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.5 mmtt -70.62 -53.31 16.39 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 75' ' ' LEU . 83.4 mt -38.81 -45.39 1.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.479 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.7 -41.15 92.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -78.44 -14.98 59.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.57 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.7 m-20 -95.86 6.99 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.593 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.06 2.33 65.63 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.994 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -65.61 -42.58 91.45 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.765 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.46 141.5 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 p -114.23 146.86 39.84 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.716 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.428 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 88.6 tt0 -62.45 -41.19 98.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.284 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -70.06 -39.45 75.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.632 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.88 83.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' NZ ' ' CG ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -66.03 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.697 0.284 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.64 95.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.56 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.5 t80 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.601 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 57' ' ' VAL . 24.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.104 0.478 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -69.11 -11.54 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.995 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -61.19 -37.61 83.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.419 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 54' ' ' VAL . 33.6 m -52.85 -19.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.0 -43.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.217 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.85 -37.1 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.6 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -60.0 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.85 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.259 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.19 84.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.773 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -38.74 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.405 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.25 -43.98 95.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 109.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.74 -48.28 82.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.2 p -64.86 -24.7 67.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.488 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.12 -41.68 98.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.185 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.49 -40.15 93.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -71.83 -13.37 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.399 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.497 ' OD1' ' NH1' ' A' ' 83' ' ' ARG . 33.1 m120 50.49 46.5 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.47 -42.32 95.98 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.276 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -113.61 102.77 10.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.378 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.82 149.7 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -80.98 166.4 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.309 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.3 -32.23 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.028 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.91 -40.1 87.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.025 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 98.7 mttt -76.53 -59.24 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 84' ' ' ILE . 1.2 mp -38.45 -69.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.715 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -57.51 -41.17 80.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.278 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.59 76.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 11.5 m-20 -85.03 -5.62 59.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.09 15.8 80.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.497 ' NH1' ' OD1' ' A' ' 70' ' ' ASN . 77.2 mtp85 -68.97 -21.63 64.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.406 HG21 HD23 ' A' ' 78' ' ' LEU . 43.0 pt -125.91 158.64 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.916 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -73.95 145.73 44.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.772 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -86.22 -20.4 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.79 -39.99 93.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.327 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.29 -42.05 99.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -31.65 49.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 111.023 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.3 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.679 179.741 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 57' ' ' VAL . 25.2 m . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 121.118 0.485 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.14 -18.47 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.817 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.45 -39.44 87.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' CG2' ' A' ' 54' ' ' VAL . 56.3 t -61.36 -44.58 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.186 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -62.44 -42.42 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.681 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.967 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.0 p -64.93 -36.2 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.91 -36.71 84.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.36 87.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.47 -39.92 92.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.417 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.31 -43.97 95.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -63.95 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.105 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.4 p -61.75 -36.31 80.63 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 3.3 mm? -65.75 -37.49 86.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.42 -38.65 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -88.85 -7.17 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.417 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 97.6 m-20 54.46 46.43 24.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.4 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.26 -38.89 88.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.458 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -91.34 134.51 34.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 77' ' ' LYS . . . -150.41 150.74 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 77' ' ' LYS . 88.6 p -110.4 167.2 10.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mp -40.03 -43.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.421 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -60.26 -39.88 88.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.779 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.676 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 33.4 mmtp -75.69 -53.78 8.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 tp -36.52 -40.84 0.27 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.282 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.7 -41.16 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.649 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -64.32 -21.1 66.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.83 -7.89 55.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.335 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.02 -0.29 79.57 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.788 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.37 -44.87 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.498 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -108.95 164.57 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.072 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -54.29 132.35 43.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.728 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -83.46 -29.93 27.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.23 -39.39 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.719 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.31 -43.08 99.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.659 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.26 96.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.34 -39.19 89.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.291 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.08 -41.61 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.826 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 110.163 178.917 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.59 ' CG1' HG23 ' A' ' 57' ' ' VAL . 4.6 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.951 0.405 . . . . 0.0 110.729 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.5 -17.58 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.955 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.536 ' H ' HG22 ' A' ' 54' ' ' VAL . 58.3 tptt -59.9 -39.81 86.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.407 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.59 HG23 ' CG1' ' A' ' 54' ' ' VAL . 53.8 t -59.77 -46.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.41 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.16 -19.56 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 111.062 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.66 -44.35 93.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.945 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -63.36 -37.58 87.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.184 0.516 . . . . 0.0 110.155 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.14 -38.11 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.188 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.91 95.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.715 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -74.15 -32.27 63.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.725 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.81 -44.6 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -60.4 -48.03 83.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.827 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.7 m -61.06 -42.33 98.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.36 -49.33 69.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.54 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.143 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -77.39 -15.8 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.578 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.5 t-20 53.61 53.73 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.82 -39.22 88.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.3 106.66 8.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 110.729 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.63 125.27 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.5 p -72.22 164.57 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 75' ' ' LEU . 4.5 tt -60.81 -46.94 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -54.51 -48.67 71.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.165 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' LEU . 59.3 mtpt -62.7 -48.46 79.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.552 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.7 mp -38.65 -70.48 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.055 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.525 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 24.5 tm0? -56.89 -38.71 73.17 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.784 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.27 66.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.1 t0 -94.56 2.91 55.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.2 14.07 82.96 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.92 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -62.11 -39.6 93.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.877 0.338 . . . . 0.0 111.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.98 159.53 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.329 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 88' ' ' GLN . 72.6 p -74.44 154.88 38.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.137 0.494 . . . . 0.0 111.274 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.525 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 99.6 mt-10 -92.89 -31.46 14.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.624 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.61 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.83 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 85' ' ' THR . 26.0 pt20 -57.66 -41.19 81.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.717 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.32 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.591 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -67.58 -52.37 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.811 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.59 86.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.246 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.707 179.813 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 56' ' ' LYS . 97.1 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.957 0.408 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.785 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.5 p -66.54 -25.13 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.222 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.599 ' H ' HG12 ' A' ' 54' ' ' VAL . 12.1 tptm -56.68 -28.02 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.382 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.02 -19.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.785 HG13 ' O ' ' A' ' 55' ' ' VAL . 35.7 m -55.3 -18.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -40.03 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.758 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.28 -41.63 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.064 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.89 -37.21 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.377 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -39.13 91.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.35 -41.06 92.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.076 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.514 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 91.7 t80 -58.62 -47.42 84.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.4 m -61.0 -39.43 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.71 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.92 -39.05 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.617 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -61.52 -38.45 87.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.514 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.9 mmtp -90.18 -2.07 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.78 49.03 21.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -117.62 106.09 12.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.15 121.86 44.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.667 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.8 p -74.13 171.14 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.99 -48.25 80.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -57.09 -40.2 76.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.611 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 67.1 mmtt -64.47 -52.76 56.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mp -38.99 -63.39 0.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.018 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.1 tm0? -57.95 -39.28 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -60.2 -35.36 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.4 t0 -88.33 3.45 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.271 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.76 78.62 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.89 -31.78 73.08 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.05 160.0 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.898 0.38 . . . . 0.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -70.05 147.48 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 99.1 mt-10 -90.23 -18.6 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.66 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.98 -42.71 99.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.13 -39.2 93.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.232 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.71 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -82.66 -28.41 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.4 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.44 80.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.818 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.4 t80 . . . . . 0 C--N 1.327 -0.376 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.895 -179.767 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 56' ' ' LYS . 59.6 t . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 58' ' ' VAL . 33.8 m -44.55 -36.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.198 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' H ' HG12 ' A' ' 54' ' ' VAL . 56.0 mtmt -65.5 -38.99 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 59' ' ' GLU . 61.6 t -61.88 -40.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.713 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 55' ' ' VAL . 4.0 p -39.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.131 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 mt-10 -61.42 -40.45 94.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.8 p -63.5 -36.78 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 109.97 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -66.57 -28.16 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.527 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.69 81.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.99 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.68 -25.4 26.89 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.401 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -44.27 97.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.04 -47.77 84.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.55 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.08 -43.17 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 60.3 tp -60.95 -45.5 94.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.069 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.84 -37.71 88.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.593 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -68.88 -36.91 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 32.9 m120 58.56 50.47 9.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.65 -39.14 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.896 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -150.31 115.85 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.76 158.97 44.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.547 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -110.28 156.85 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.789 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.04 -13.78 60.54 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.466 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.49 -35.76 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.416 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.76 -25.19 67.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 78' ' ' LEU . 96.6 mt -88.88 -44.1 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -52.02 -35.13 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.611 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.12 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.478 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -76.27 -19.31 58.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 109.674 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.15 81.18 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.353 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.74 -39.74 95.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.395 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 pt -84.76 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.062 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -74.54 129.97 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.3 -13.43 46.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.061 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -69.84 -33.2 71.97 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.202 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.62 -27.62 67.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.269 0.557 . . . . 0.0 110.015 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.13 89.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.467 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 2.6 mptp? -60.59 -41.58 95.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.02 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.487 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.6 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.293 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 56' ' ' LYS . 87.4 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.158 0.504 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -39.78 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.482 ' H ' HG12 ' A' ' 54' ' ' VAL . 52.8 tptt -58.46 -39.4 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.306 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.58 -42.1 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.12 -19.35 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.28 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -48.22 -20.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.666 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.342 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.43 -28.03 68.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.305 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.53 83.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.964 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.21 95.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.456 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 64' ' ' LEU . 8.0 mp -62.83 -39.34 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.425 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.524 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 89.5 t80 -59.51 -48.48 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.56 -42.57 99.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 110.423 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.91 -43.72 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.369 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.26 -42.35 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.524 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.4 mmtp -85.2 -5.62 59.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 54.86 49.58 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.162 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -83.85 0.84 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.759 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 48.3 p-10 -160.14 130.9 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.031 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.55 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -157.0 158.53 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.562 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -82.9 159.95 22.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.82 -45.81 50.47 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -60.06 -42.97 95.64 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.356 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 80' ' ' ALA . 98.7 mttt -67.84 -50.34 57.17 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.75 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -38.8 -44.34 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.753 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.46 -41.89 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.475 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -77.09 -13.0 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.612 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.39 5.71 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.193 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.28 -0.94 78.31 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.222 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.0 -41.82 95.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.477 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 84' ' ' ILE . 37.3 pt -135.78 142.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.9 p -113.8 138.2 50.6 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.003 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.75 -40.84 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.19 -43.56 98.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.574 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -66.51 -40.37 89.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.778 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.31 82.27 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.504 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -54.16 -35.18 61.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.931 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.2 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 179.62 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 57' ' ' VAL . 69.8 t . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.99 0.424 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -80.17 -24.31 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.26 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.36 -42.68 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -62.71 -36.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.518 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.651 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.55 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.0 p -64.72 -37.17 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.166 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.62 -37.6 88.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.75 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.24 86.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -43.95 95.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.169 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.47 -43.21 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 109.966 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.61 -46.02 91.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.585 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.27 -43.52 98.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -39.96 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -69.05 -22.73 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.464 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.34 45.37 25.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.32 -38.44 89.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.56 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.13 99.72 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -75.55 176.01 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.563 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.29 -49.02 75.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -52.52 -44.1 65.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 73.6 mmtt -62.61 -51.46 67.22 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 mp -39.02 -64.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.431 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -55.3 -37.72 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -56.64 -26.59 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.252 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.85 2.19 53.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.155 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.95 15.88 79.89 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -62.97 -36.07 82.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.421 0.153 . . . . 0.0 111.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.1 pt -125.92 165.15 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.762 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.46 ' OG1' ' CG ' ' A' ' 88' ' ' GLN . 71.4 p -68.91 136.6 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.209 0.528 . . . . 0.0 111.324 -179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.611 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.52 -39.55 93.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.796 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CG ' ' OG1' ' A' ' 85' ' ' THR . 98.2 mm-40 -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.901 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.9 85.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.023 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -80.52 -21.67 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.138 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 88.4 t80 . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 111.007 -179.798 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 57' ' ' VAL . 99.8 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.102 0.477 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.4 -25.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.418 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -59.94 -39.68 86.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 54' ' ' VAL . 34.5 m -60.59 -39.01 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 57' ' ' VAL . 1.3 p -79.44 -29.26 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.832 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -43.95 96.67 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.662 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.2 p -66.35 -35.44 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.052 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -64.12 -37.45 87.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.4 96.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.26 -41.65 96.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.194 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.99 -41.21 95.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.841 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.11 -49.02 79.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.5 p -65.65 -39.17 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.68 -45.43 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.39 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.25 -22.58 61.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.746 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 60.06 60.25 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.309 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.38 -38.08 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 65.5 t0 -49.99 143.64 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -48.08 110.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -91.22 174.16 7.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 mt -82.46 -24.59 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 83.0 mtp180 -61.41 -40.51 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 -61.36 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.153 0.501 . . . . 0.0 109.986 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -38.73 -68.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.608 HE22 ' CB ' ' A' ' 89' ' ' ALA . 53.2 tt0 -55.51 -41.92 73.78 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.76 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 76' ' ' ARG . . . -59.86 -37.41 79.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.461 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.59 -2.46 50.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.426 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.54 16.15 80.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -62.23 -38.07 87.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.17 159.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.474 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -65.86 145.71 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -87.0 -33.96 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.368 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -57.67 -34.33 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.643 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.52 -43.38 97.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.608 ' CB ' HE22 ' A' ' 79' ' ' GLN . . . -63.04 -40.75 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -59.62 -38.34 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.78 -44.67 28.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.806 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 121.487 0.66 . . . . 0.0 109.688 178.415 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 57' ' ' VAL . 93.2 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.966 0.413 . . . . 0.0 111.46 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.64 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.587 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.91 -18.9 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.02 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -48.83 -24.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.33 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.28 -21.61 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.059 0.457 . . . . 0.0 110.352 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.88 -35.48 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.7 p -59.16 -32.4 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.84 -40.72 98.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 109.918 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.59 -36.04 75.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.018 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.09 -40.28 89.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -67.85 -35.81 79.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 110.325 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ASN . 75.4 m -61.79 -37.64 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.314 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.52 -39.72 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.786 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.16 -38.15 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.796 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.35 -20.67 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 109.869 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' SER . 55.1 t30 51.43 24.85 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 42.83 17.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASN . 29.5 t0 -161.2 161.39 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.532 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -143.78 145.98 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.291 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.825 ' O ' HD13 ' A' ' 78' ' ' LEU . 41.8 t -63.77 -170.61 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 111.222 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' N ' ' OG ' ' A' ' 74' ' ' SER . 7.5 mp -90.48 -41.96 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.782 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.72 -43.77 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 81' ' ' ASP . 57.4 mtmt -64.55 -52.73 56.18 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.667 -0.813 . . . . 0.0 108.914 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 74' ' ' SER . 3.4 mp -39.95 -59.9 1.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.858 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.98 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.61 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -21.32 63.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.9 m-20 -93.79 5.74 50.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.315 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.96 88.36 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.675 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -63.01 -39.93 96.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 109.942 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.1 pt -135.45 140.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.667 ' H ' HE21 ' A' ' 88' ' ' GLN . 71.0 p -115.14 131.61 56.87 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.637 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.2 -41.25 96.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.385 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.667 HE21 ' H ' ' A' ' 85' ' ' THR . 2.6 pt20 -89.47 -19.93 24.5 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.993 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.3 89.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.733 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.518 ' CD ' ' N ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -74.84 -21.11 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.757 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.655 ' O ' HG12 ' A' ' 57' ' ' VAL . 27.2 m . . . . . 0 N--CA 1.461 0.091 0 CA-C-O 120.929 0.395 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 58' ' ' VAL . 34.3 m -65.81 -21.68 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.86 -31.53 72.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.437 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 54' ' ' VAL . 7.6 p -49.06 -21.42 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 55' ' ' VAL . 31.0 m -60.83 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 98.3 mt-10 -61.46 -39.12 89.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -60.93 -42.07 97.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -63.41 -28.61 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -60.71 -39.36 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.555 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.9 -39.2 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.7 -41.13 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.142 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -59.04 -47.2 86.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.645 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 m -60.91 -39.6 90.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.228 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.9 -43.44 98.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.849 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.69 -39.16 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -68.86 -18.62 64.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.182 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 56.32 40.75 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -84.09 58.06 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -80.26 166.89 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 158.06 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.458 ' H ' ' CE ' ' A' ' 77' ' ' LYS . 38.1 t -84.31 171.32 12.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.02 -17.58 60.48 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.453 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -85.61 -34.5 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.729 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CE ' ' H ' ' A' ' 74' ' ' SER . 56.0 mtmt -70.71 -19.82 62.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.66 -45.89 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -52.93 -36.48 59.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.37 86.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.971 -0.691 . . . . 0.0 109.251 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -73.86 -24.32 59.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.63 178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.21 17.42 80.01 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.08 -39.89 96.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.1 pt -57.29 168.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.621 HG23 ' H ' ' A' ' 88' ' ' GLN . 8.8 t -61.3 143.83 54.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 111.248 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.65 -37.49 86.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.4 -39.82 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.504 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.621 ' H ' HG23 ' A' ' 85' ' ' THR . 72.1 tp60 -62.24 -40.03 94.83 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.701 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.37 94.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -59.81 -43.3 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.322 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.98 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.124 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.594 179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.634 ' O ' HG12 ' A' ' 57' ' ' VAL . 94.4 t . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.39 -41.81 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -62.86 -21.64 66.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 54' ' ' VAL . 4.1 p -50.3 -19.87 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 0.0 110.192 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.41 -43.12 93.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.939 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.78 -41.98 92.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.698 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -64.4 -39.69 94.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.492 . . . . 0.0 109.689 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -62.04 -37.11 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.91 91.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.53 -42.19 98.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.104 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.11 -40.98 95.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.98 -47.64 84.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.228 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.3 m -60.26 -42.34 95.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.959 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.75 -38.9 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.83 -41.26 97.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -89.48 -11.2 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.9 t30 50.92 18.72 0.55 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' ASN . 78.4 mm-40 36.17 -114.8 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.66 92.63 1.86 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.99 149.38 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.8 t -79.99 164.53 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -62.3 -41.11 98.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.03 -39.32 83.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.759 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.23 -19.42 64.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.596 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 78' ' ' LEU . 92.3 mt -91.01 -59.19 2.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HG2' HD11 ' A' ' 84' ' ' ILE . 97.8 mt-30 -56.68 -36.19 69.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.706 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.8 84.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -81.46 -28.52 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.368 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.16 76.1 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.554 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.56 -44.95 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.04 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.411 HD11 ' HG2' ' A' ' 79' ' ' GLN . 26.3 pt -61.71 -179.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 0.0 111.361 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.42 135.15 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.647 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -68.06 -39.88 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.19 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.07 -39.82 93.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.351 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.04 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.23 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.97 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.896 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.13 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.4 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.604 179.789 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 56' ' ' LYS . 95.4 t . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.257 0.551 . . . . 0.0 111.078 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 55' ' ' VAL . 7.2 p -51.01 -9.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.064 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 54' ' ' VAL . 23.3 pttp -49.52 -27.97 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.873 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.62 -46.33 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 109.879 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.47 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.676 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.87 -39.86 90.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.571 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.4 m -61.96 -40.07 94.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.82 -29.5 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.68 -9.73 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.766 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.0 -42.31 99.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.89 -41.01 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.405 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.58 -48.95 79.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.369 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -63.96 -39.19 93.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.739 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -46.24 90.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.761 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.61 97.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.243 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -68.36 -40.35 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.274 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ASP . 53.8 t30 51.7 24.98 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 39.91 21.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.124 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.3 m-20 -96.2 138.92 33.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.511 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 154.28 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.233 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.418 ' H ' ' HE3' ' A' ' 77' ' ' LYS . 43.7 t -85.45 161.59 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.106 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.75 -17.83 62.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.355 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -84.05 -37.06 22.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HE3' ' H ' ' A' ' 74' ' ' SER . 56.4 mtmt -70.73 -18.91 62.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.363 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.03 -57.57 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.6 tm0? -49.28 -26.29 2.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.74 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.58 -16.64 61.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.307 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.32 6.76 80.74 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.43 -35.7 81.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.33 157.86 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.32 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.2 p -79.46 158.04 27.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.159 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 51.6 mp0 -81.03 -36.94 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.705 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -68.06 -37.66 81.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -65.06 -41.0 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.12 81.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -82.79 -25.89 32.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 0.0 110.214 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.76 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.992 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.3 t80 . . . . . 0 C--N 1.327 -0.377 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.917 -179.684 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' HB ' ' A' ' 57' ' ' VAL . 2.6 m . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.643 ' O ' HG22 ' A' ' 58' ' ' VAL . 69.9 t -66.0 -41.89 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.323 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.87 -15.9 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.982 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.554 ' HB ' HG23 ' A' ' 54' ' ' VAL . 9.0 p -49.27 -34.46 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 55' ' ' VAL . 33.6 m -78.33 -32.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.692 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.31 -40.28 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.3 p -62.41 -39.29 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.973 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.283 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.25 94.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.744 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.36 -39.58 94.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.371 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -46.28 90.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.66 -48.58 81.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -63.2 -39.34 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.84 -50.64 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.255 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.25 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.4 -41.5 89.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.102 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 27.6 t-20 53.25 23.13 3.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 39.68 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ASN . 68.2 m-20 -123.16 130.8 53.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.77 142.74 44.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.833 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.3 p -80.49 170.09 16.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.593 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 75' ' ' LEU . 10.9 mp -65.7 -20.45 66.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.112 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.54 -28.8 30.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 0.0 109.995 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -67.98 -28.79 67.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.3 -48.18 7.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.05 -33.64 65.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.086 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.28 87.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.99 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.61 14.84 77.29 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -61.67 -39.38 91.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -122.82 160.19 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.231 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 88' ' ' GLN . 9.4 t -70.93 150.13 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -81.77 -28.4 33.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.502 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.3 -38.7 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.812 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.477 ' H ' HG23 ' A' ' 85' ' ' THR . 64.9 tt0 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.7 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.67 93.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.81 -37.32 81.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.15 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.561 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.6 t80 . . . . . 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.589 . . . . 0.0 109.686 178.491 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 56' ' ' LYS . 94.6 t . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 121.143 0.496 . . . . 0.0 110.743 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 55' ' ' VAL . 11.4 p -49.08 -8.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.987 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.553 ' H ' HG12 ' A' ' 54' ' ' VAL . 26.3 pttm -52.82 -14.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.039 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.82 -46.0 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.242 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 55' ' ' VAL . 9.3 m -75.33 -25.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.879 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.99 -42.35 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.062 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.7 m -65.5 -40.41 93.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.067 0.46 . . . . 0.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 65' ' ' TYR . 1.1 tm0? -63.89 -36.05 82.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.12 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.88 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.53 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 61' ' ' GLN . 21.3 m-85 -64.18 -39.47 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ASN . 92.6 p -62.37 -36.67 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.586 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 60.7 tp -62.07 -46.47 88.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.205 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -64.36 -40.65 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -76.89 -28.12 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 33.0 m120 58.62 21.86 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.905 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 43.48 34.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -158.96 160.14 35.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 144.47 56.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.414 ' H ' ' HD2' ' A' ' 77' ' ' LYS . 81.6 p -83.48 173.77 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.194 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.77 -37.46 86.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.83 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -67.78 -39.78 84.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.296 -0.561 . . . . 0.0 109.58 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' HD2' ' H ' ' A' ' 74' ' ' SER . 68.7 mttm -70.43 -21.22 62.84 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.464 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.1 -63.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -48.85 -38.73 23.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.38 90.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.218 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.57 -23.69 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.71 5.96 58.5 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.484 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -36.89 84.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.947 0.373 . . . . 0.0 111.523 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 pt -115.97 155.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.989 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 p -79.31 160.32 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -90.44 -40.49 12.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.958 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.71 -35.15 78.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.919 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.4 -43.78 98.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.938 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.64 83.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.168 0.509 . . . . 0.0 110.459 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -73.64 -50.87 18.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.76 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.22 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.2 t80 . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -121.33 -7.1 9.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.145 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -130.19 153.82 48.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.635 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -118.52 132.55 56.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.413 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HG2' ' H ' ' A' ' 46' ' ' VAL . 83.0 tt0 -159.66 156.67 28.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.128 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.14 83.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.356 0.598 . . . . 0.0 109.517 178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.41 ' H ' ' HG2' ' A' ' 44' ' ' GLU . 62.0 t -64.61 -42.13 94.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.408 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -58.27 145.8 36.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.216 0.531 . . . . 0.0 111.43 -178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -154.64 164.87 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.936 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -41.47 97.76 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.931 -0.307 . . . . 0.0 110.648 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.18 0.79 78.43 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -67.02 -27.75 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.547 0.213 . . . . 0.0 111.376 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.08 -40.41 89.46 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.389 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.39 140.38 44.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.187 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.562 ' O ' HG12 ' A' ' 57' ' ' VAL . 1.5 p -110.41 119.5 59.4 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.26 0.553 . . . . 0.0 111.022 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 58' ' ' VAL . 68.2 t -66.23 -39.06 83.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.622 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -59.46 -20.82 58.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.061 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.2 p -51.74 -41.29 28.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.997 -179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' N ' HG13 ' A' ' 57' ' ' VAL . 6.2 p -74.78 -30.42 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.57 -40.37 96.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.8 t -61.96 -42.4 99.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.852 0.358 . . . . 0.0 110.629 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.66 -28.23 69.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.25 -38.65 87.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.471 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.17 96.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.464 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 64' ' ' LEU . 8.8 mp -62.3 -39.19 92.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.78 0.324 . . . . 0.0 110.385 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -58.94 -48.33 81.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.307 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.7 m -62.88 -40.0 96.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.313 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.443 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 59.9 tp -61.39 -43.38 98.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.38 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.98 -36.95 83.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -82.59 -21.06 35.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.57 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.443 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 81.0 m-20 53.15 40.49 31.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.998 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 72' ' ' ASP . 72.8 mm-40 -63.04 -40.84 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.705 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 71' ' ' GLU . 99.1 m-20 -139.91 132.47 28.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.433 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.08 142.47 40.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.358 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.2 p -73.58 165.53 24.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.612 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -62.22 -47.58 83.79 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -50.06 -50.56 47.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.095 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.74 -48.45 79.15 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.188 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.592 HD23 ' CG2' ' A' ' 84' ' ' ILE . 2.0 mp -39.89 -67.57 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.983 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -58.01 -38.59 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.751 0.31 . . . . 0.0 110.406 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.5 -40.12 81.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -87.16 -11.84 48.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.082 0.468 . . . . 0.0 109.825 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.15 19.7 79.71 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -62.09 -40.84 97.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 121.052 -0.259 . . . . 0.0 110.921 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.592 ' CG2' HD23 ' A' ' 78' ' ' LEU . 19.0 pt -68.22 148.09 12.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.034 0.445 . . . . 0.0 110.952 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 88' ' ' GLN . 39.4 p -80.46 168.18 19.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.225 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.73 -38.38 84.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.62 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -61.24 -40.71 95.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.071 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 85' ' ' THR . 2.6 mp0 -77.42 -21.79 52.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.063 0.459 . . . . 0.0 110.288 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.07 -18.13 64.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.469 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -59.8 -23.04 62.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.055 0.455 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' N ' ' A' ' 93' ' ' LYS . . . -64.35 -14.09 54.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.629 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -47.05 -20.15 0.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.906 0.384 . . . . 0.0 110.548 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.416 ' N ' ' C ' ' A' ' 91' ' ' ALA . 15.6 mmmt -65.16 -11.64 42.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.735 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.38 -25.89 65.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.859 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -63.54 -46.92 83.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.89 178.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -60.88 -43.23 98.75 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.441 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -62.73 -40.82 98.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -60.06 -43.03 95.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.482 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.19 -33.63 72.49 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.78 8.03 46.48 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -39.4 96.49 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.536 -1.025 . . . . 0.0 110.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.74 87.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.991 0.425 . . . . 0.0 110.347 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -87.48 102.62 14.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.28 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 47.5 mtm105 -67.61 148.36 51.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -98.75 136.35 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.309 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.3 m -63.11 -29.52 47.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.785 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -106.2 135.68 47.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.1 p30 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 117.924 -1.036 . . . . 0.0 110.54 -179.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 42' ' ' GLN . 6.7 p . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt 63.11 -67.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' N ' ' O ' ' A' ' 40' ' ' THR . 77.7 mt-30 55.38 54.94 7.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.862 0.363 . . . . 0.0 110.749 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 45' ' ' ALA . 68.9 mttm -61.67 157.02 18.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.781 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -74.71 6.81 3.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.621 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' H ' ' C ' ' A' ' 43' ' ' LYS . . . -100.24 -2.5 33.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.256 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.5 p -63.53 -30.26 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.334 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -61.8 131.87 51.25 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.326 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -152.16 106.37 3.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.977 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.99 -39.91 93.82 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.94 -3.13 76.98 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 115.727 -0.669 . . . . 0.0 113.561 177.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -64.65 -39.42 93.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 118.297 1.048 . . . . 0.0 110.619 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.46 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.904 0.383 . . . . 0.0 110.032 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.07 145.41 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.32 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.598 HG12 ' H ' ' A' ' 56' ' ' LYS . 57.7 t -110.22 129.32 65.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.4 m -39.87 -23.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.537 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.598 ' H ' HG12 ' A' ' 54' ' ' VAL . 26.8 mmtp -62.0 -40.16 94.72 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.237 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.32 -44.65 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.3 -46.76 95.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.73 -38.94 92.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.743 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.5 t -60.8 -47.92 84.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.026 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -67.84 -39.42 83.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.612 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.46 -23.98 66.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.705 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -59.61 -42.2 92.08 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.537 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.77 -40.06 95.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.618 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 69' ' ' LYS . 68.1 m-85 -70.75 -28.31 64.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.372 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.1 t -58.85 -41.17 86.33 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.956 -0.298 . . . . 0.0 110.809 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -61.16 -39.74 91.23 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.721 -0.392 . . . . 0.0 109.992 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -86.59 -17.12 34.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.732 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 65' ' ' TYR . 20.4 tptp -70.11 -35.69 74.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.5 m120 57.52 51.02 10.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.317 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.79 -40.12 87.22 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.154 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 57.4 p-10 -152.08 145.88 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.514 179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.54 154.11 22.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.155 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.6 p -81.42 167.94 18.87 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.2 -30.37 71.27 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.744 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 34.0 mtp-105 -70.84 -39.78 72.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.905 0.383 . . . . 0.0 110.917 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -66.65 -22.32 66.1 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.419 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.14 -56.08 3.36 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 177.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -49.85 -39.68 39.93 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.367 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.04 90.21 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -71.46 -26.58 62.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.612 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.69 16.52 75.24 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.786 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.45 -42.1 98.65 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.708 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.3 pt -59.15 174.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.486 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.7 p -72.38 157.36 37.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.26 0.552 . . . . 0.0 111.595 -178.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -70.16 -39.56 75.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.063 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -45.07 95.12 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.218 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.36 -40.15 93.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.653 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.07 92.37 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.2 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.51 -39.86 95.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.121 -179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.38 93.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.942 0.401 . . . . 0.0 110.208 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -60.44 -48.01 83.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.542 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.89 -39.86 93.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.023 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -63.19 -38.67 92.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.812 0.339 . . . . 0.0 110.422 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -59.13 -46.91 87.12 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 62.3 t-20 -60.74 -43.54 97.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.976 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.62 -46.0 91.92 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.498 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.21 -39.16 93.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.167 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -63.3 -20.57 65.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -86.15 2.66 87.59 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.089 -0.805 . . . . 0.0 111.089 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.06 -25.0 63.73 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.83 -41.06 86.0 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.95 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' O ' ' O ' ' A' ' 100' ' ' GLY . 52.4 p30 -151.14 166.18 31.6 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.897 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -111.52 140.2 46.32 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.747 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -70.33 144.8 51.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.702 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.75 137.67 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.917 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -97.5 109.19 21.99 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.849 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.0 t70 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.012 -0.995 . . . . 0.0 110.628 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.489 ' OG1' ' N ' ' A' ' 41' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' N ' ' OG1' ' A' ' 40' ' ' THR . 68.4 mttm -62.26 -39.16 91.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.68 -39.97 95.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.533 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -60.4 128.73 38.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.381 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 53.11 31.58 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.254 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.34 -59.05 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.817 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.5 p -123.2 144.74 31.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.899 0.38 . . . . 0.0 110.445 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -66.37 147.09 53.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.894 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -143.72 26.2 1.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.547 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -62.9 -39.46 94.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.476 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.43 -0.75 88.81 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -110.36 -12.05 14.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.762 0.315 . . . . 0.0 110.471 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.44 94.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.977 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.54 134.45 54.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.578 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 89.2 t -112.13 127.44 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.537 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.87 -42.33 94.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -59.83 -41.12 90.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.746 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.27 -43.84 97.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 110.75 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.83 -44.66 98.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.815 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.11 -38.88 86.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.201 0.524 . . . . 0.0 110.619 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.0 p -62.96 -19.76 64.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.537 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -59.21 -46.58 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.33 -0.548 . . . . 0.0 109.842 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.16 -36.94 81.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.88 0.371 . . . . 0.0 110.588 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.89 -38.83 79.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.82 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.35 -45.84 90.29 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.255 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -70.61 -31.44 68.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.497 179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 t -60.68 -39.44 88.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.597 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -58.32 -43.28 88.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.339 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.82 -42.45 97.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -71.8 -7.92 51.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.195 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 57.72 18.08 4.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.621 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 42.86 62.89 1.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.993 0.425 . . . . 0.0 110.409 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -159.99 161.59 34.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.17 131.48 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.4 p -82.27 164.54 21.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.73 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.51 -29.92 41.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.1 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -58.99 -47.44 85.18 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.282 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 81' ' ' ASP . 62.3 mttp -61.6 -63.99 1.09 Allowed 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.611 179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 5.3 mp -38.43 -68.81 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.235 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -54.66 -43.09 72.09 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.587 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.14 -28.07 69.38 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.015 0.436 . . . . 0.0 109.854 179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 77' ' ' LYS . 97.0 m-20 -88.86 -3.99 58.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.75 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.83 7.4 85.81 Favored Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -62.06 -38.6 89.38 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.122 -0.231 . . . . 0.0 110.381 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -124.92 162.09 27.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.47 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 78.7 p -73.04 149.57 43.1 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.542 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -87.16 -32.48 19.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.427 179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.05 -41.61 97.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.071 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.62 -40.46 95.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.957 0.408 . . . . 0.0 110.796 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.55 -39.53 91.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.692 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -81.69 -25.07 35.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.83 -39.28 80.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.768 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.93 -39.44 85.48 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.133 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.435 ' O ' ' OD1' ' A' ' 96' ' ' ASN . 64.7 tttm -57.0 -45.11 83.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.694 -178.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -48.93 -25.56 2.0 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.548 0.213 . . . . 0.0 110.914 -179.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -55.54 -48.37 74.83 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.341 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.542 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 47.9 p-10 -49.46 -24.73 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 111.035 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.542 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 32.5 t70 -58.73 -28.24 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.512 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -58.27 -44.07 88.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.309 -179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -65.37 -33.23 75.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.178 0.513 . . . . 0.0 109.65 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.23 -39.95 97.9 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.313 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.19 3.46 85.57 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.23 -49.54 77.19 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.091 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 103' ' ' ASN . 50.6 p30 -115.69 62.88 0.69 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.883 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.6 ptp85 -59.78 -26.95 66.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.646 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -73.4 152.95 40.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.614 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.62 159.38 38.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.528 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -102.97 15.77 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.546 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.525 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -144.02 128.26 17.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.116 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 44.65 57.63 4.39 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.331 179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -58.51 -41.07 84.58 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.889 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -97.47 122.73 40.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.184 0.516 . . . . 0.0 110.603 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.84 87.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.927 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 46' ' ' VAL . 9.3 p -78.84 91.99 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.378 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -100.82 150.32 22.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.549 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -108.86 64.2 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.49 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -99.5 5.35 46.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.653 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.39 35.89 59.7 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.34 -12.16 39.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.681 0.277 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.2 -38.5 80.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.148 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.78 147.96 36.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.103 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.639 ' O ' HG12 ' A' ' 57' ' ' VAL . 80.8 t -69.66 126.03 28.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.865 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.807 ' O ' HG22 ' A' ' 58' ' ' VAL . 60.5 t -63.56 -42.0 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.046 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -56.0 -22.5 27.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.036 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 54' ' ' VAL . 6.1 p -53.32 -25.9 11.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.325 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 55' ' ' VAL . 33.2 m -65.02 -21.78 30.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.696 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.68 -38.28 84.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.644 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.6 p -62.55 -40.49 97.0 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -69.23 -39.1 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.437 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.7 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.408 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.01 -41.96 97.53 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.427 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.55 -39.98 92.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.936 0.398 . . . . 0.0 110.157 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -63.98 -39.94 95.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.831 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 70' ' ' ASN . 45.4 t -59.3 -45.02 92.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.23 -39.62 95.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.947 0.404 . . . . 0.0 110.142 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.44 -39.18 93.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -105.94 8.04 32.36 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.828 0.347 . . . . 0.0 110.891 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 66' ' ' SER . 61.8 t30 48.42 44.96 20.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.38 -39.99 94.99 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.754 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -131.42 123.59 28.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.582 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' HB3' ' CD1' ' A' ' 78' ' ' LEU . . . -153.78 153.99 33.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.45 . . . . 0.0 111.04 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 40.8 t -75.84 154.96 35.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.741 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.49 -44.13 97.64 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -56.53 -44.7 81.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.804 -177.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 59.7 mtpt -66.73 -50.64 62.15 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 120.018 -0.673 . . . . 0.0 109.873 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.403 ' CD1' ' HB3' ' A' ' 73' ' ' ALA . 1.9 mp -38.61 -68.14 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.261 -178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -53.27 -36.74 61.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.597 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -59.6 -37.24 78.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.728 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -84.82 -10.35 57.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.049 0.452 . . . . 0.0 110.162 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.91 21.68 79.64 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -60.71 -38.39 84.88 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.793 0.33 . . . . 0.0 110.758 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.4 pt -85.83 169.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.347 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.427 ' H ' HG22 ' A' ' 85' ' ' THR . 0.0 OUTLIER -56.25 126.64 27.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.015 0.436 . . . . 0.0 111.089 -178.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -72.42 -19.24 61.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.02 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.3 -39.58 87.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.581 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.23 -39.75 95.51 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.491 -0.484 . . . . 0.0 109.846 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -38.41 88.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.159 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -61.68 -38.75 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.648 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.51 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.897 0.38 . . . . 0.0 110.399 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -64.77 -45.02 88.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -59.57 -47.64 84.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.666 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -71.03 -28.8 64.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.536 -0.466 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.413 ' CZ ' ' ND2' ' A' ' 99' ' ' ASN . 91.9 t80 -61.64 -48.31 81.42 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.344 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -61.64 -40.62 95.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.729 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 101' ' ' GLY . 37.2 t70 -62.22 -42.58 99.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.58 -44.01 96.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.767 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.413 ' ND2' ' CZ ' ' A' ' 95' ' ' TYR . 98.7 m-20 -84.5 -5.01 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.765 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.08 -20.79 8.11 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 97' ' ' ASP . . . -90.27 -3.13 72.86 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.7 -10.41 55.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.747 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.0 t-20 -61.06 -44.15 97.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.024 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 39.6 ptt180 -57.46 138.31 55.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.711 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -80.6 -12.61 59.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.696 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.831 HG12 ' H ' ' A' ' 108' ' ' ASP . 88.5 t -119.78 127.55 75.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.83 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 108' ' ' ASP . 57.6 p30 -69.28 -14.79 63.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.716 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.831 ' H ' HG12 ' A' ' 106' ' ' VAL . 66.1 t0 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 118.085 -0.96 . . . . 0.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -137.0 30.46 2.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.541 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 45' ' ' ALA . 97.7 mt-30 -92.92 174.2 7.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' ALA . 85.0 tttt 61.44 68.1 0.74 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.831 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 38.46 29.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.166 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 42' ' ' GLN . . . -62.67 -42.97 99.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.913 0.387 . . . . 0.0 110.543 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.3 t -131.46 130.42 62.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.582 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -89.87 108.59 19.79 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.324 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -164.83 26.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.596 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.47 -40.61 95.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.091 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 63.49 30.92 79.04 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.376 -1.089 . . . . 0.0 110.376 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -60.21 -42.55 95.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.741 0.305 . . . . 0.0 110.72 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.39 91.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.835 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -93.63 145.51 24.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.444 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 m -68.07 121.75 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.8 m -80.03 -32.05 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.14 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.76 -46.21 91.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.485 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.4 t -63.17 -43.86 99.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.2 t -61.15 -44.74 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.58 -41.92 98.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.846 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.2 m -64.76 -42.01 95.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.086 0.47 . . . . 0.0 110.42 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -37.68 87.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.58 92.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.793 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.85 -41.07 95.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.562 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.0 mt -62.12 -41.16 97.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -68.99 -37.81 78.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.79 0.329 . . . . 0.0 110.673 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 92.5 p -63.07 -37.71 88.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.053 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.06 -49.4 65.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.559 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.89 -42.8 97.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.289 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.1 tptp -68.02 -38.86 83.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.582 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 72' ' ' ASP . 63.7 t30 52.46 45.64 28.17 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.43 66.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.575 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' N ' ' O ' ' A' ' 70' ' ' ASN . 35.5 t0 -160.13 147.86 16.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.545 179.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.1 139.73 14.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.523 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.0 t -111.96 158.4 19.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.977 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.7 tp -56.15 -45.42 79.63 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -59.78 -41.55 91.35 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.984 -0.686 . . . . 0.0 109.466 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.69 -46.72 81.18 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.291 -0.564 . . . . 0.0 110.085 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 75' ' ' LEU . 65.3 mt -46.61 -48.84 19.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.474 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -58.43 -43.32 88.66 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.83 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.38 -21.23 66.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.43 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -89.71 -3.32 58.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.061 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.88 8.94 78.89 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.75 -0.94 . . . . 0.0 110.75 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -63.59 -37.96 89.32 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.487 0.184 . . . . 0.0 111.29 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.7 pt -119.81 161.0 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.151 0 CA-C-O 120.767 0.318 . . . . 0.0 110.991 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.9 t -67.2 148.33 51.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.3 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -90.65 -25.0 20.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 0.0 110.313 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -58.26 -42.82 87.29 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -62.4 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.613 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.39 96.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.789 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -74.36 -43.39 56.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.448 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.79 -50.06 69.43 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.821 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.511 ' CZ ' ' OD1' ' A' ' 96' ' ' ASN . 86.3 t80 -59.15 -47.1 86.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.52 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.34 -48.83 80.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.064 -0.654 . . . . 0.0 111.0 -178.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.97 -41.61 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.558 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -57.71 -51.63 68.73 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 119.854 -0.738 . . . . 0.0 109.153 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.511 ' OD1' ' CZ ' ' A' ' 92' ' ' TYR . 27.1 m120 -61.84 -34.92 76.83 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.171 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -48.58 -31.87 7.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.44 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -61.31 -37.86 84.77 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.007 0.432 . . . . 0.0 110.146 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.72 4.03 50.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.745 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.518 ' O ' ' ND2' ' A' ' 103' ' ' ASN . . . 77.76 1.86 79.3 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.6 -35.49 91.21 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.009 -0.436 . . . . 0.0 112.009 -179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -44.92 88.38 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.978 -178.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 100' ' ' GLY . 28.7 m120 46.53 -127.03 1.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.724 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -123.56 -42.31 2.22 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.084 0.469 . . . . 0.0 110.314 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt 56.5 12.81 1.15 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.345 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.3 m -139.08 152.6 24.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.846 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.5 p30 -91.86 4.71 52.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.147 0.499 . . . . 0.0 110.682 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 66.2 t0 . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.661 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.614 ' O ' HG22 ' A' ' 40' ' ' THR . 29.6 m . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -89.65 -4.8 57.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.298 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -62.82 -39.74 95.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.377 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 44' ' ' GLU . 50.5 tttm 50.5 36.03 12.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.468 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.615 ' HB3' HG13 ' A' ' 46' ' ' VAL . 98.0 mt-10 57.09 140.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.216 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 46' ' ' VAL . . . -88.21 6.73 35.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.48 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.615 HG13 ' HB3' ' A' ' 44' ' ' GLU . 31.4 m -35.6 156.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.473 -179.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.6 170.37 16.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.174 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -70.31 146.8 50.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.003 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -61.97 -40.69 96.48 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.229 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 81.4 17.84 70.31 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -81.62 -5.45 58.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.401 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -39.01 86.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.221 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.37 149.87 32.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.226 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.75 130.67 31.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.661 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.641 ' O ' HG12 ' A' ' 58' ' ' VAL . 58.4 t -61.8 -42.79 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.119 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -60.36 -40.85 92.25 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.882 0.372 . . . . 0.0 111.082 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' GLU . 53.1 t -61.08 -41.22 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.727 -179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 55' ' ' VAL . 1.3 p -44.6 -19.95 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.875 -178.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.7 mt-10 -61.98 -40.64 96.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.55 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.2 p -63.41 -38.54 91.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.966 0.412 . . . . 0.0 110.179 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -70.37 -27.95 64.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.507 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.79 -39.52 91.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.76 -44.2 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.676 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 64' ' ' LEU . 10.1 mp -63.01 -40.28 97.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 110.518 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.01 -48.07 83.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.683 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.8 m -61.89 -40.8 96.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 86.8 mt -62.73 -41.19 99.06 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.95 -39.31 93.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.524 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.6 tptm -68.45 -33.81 74.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.562 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 80.0 m-20 56.97 49.36 14.06 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.875 0.369 . . . . 0.0 110.744 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.51 -39.87 89.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.419 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.2 144.93 53.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.259 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.51 139.2 58.74 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.442 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.1 p -110.21 162.79 14.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.23 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.622 ' HA ' HD12 ' A' ' 78' ' ' LEU . 61.0 tp -47.58 -45.41 27.26 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -60.21 -40.67 90.97 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.395 -0.522 . . . . 0.0 109.965 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 80' ' ' ALA . 69.5 mmtt -70.62 -53.31 16.39 Favored 'General case' 0 C--N 1.334 -0.103 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 75' ' ' LEU . 83.4 mt -38.81 -45.39 1.14 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.479 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -65.7 -41.15 92.67 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.717 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -78.44 -14.98 59.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.57 179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.7 m-20 -95.86 6.99 47.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.593 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.06 2.33 65.63 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 120.841 -0.695 . . . . 0.0 111.994 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -65.61 -42.58 91.45 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.404 -0.518 . . . . 0.0 110.765 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 pp -138.46 141.5 37.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 p -114.23 146.86 39.84 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.716 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.428 ' CG ' ' NZ ' ' A' ' 90' ' ' LYS . 88.6 tt0 -62.45 -41.19 98.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.878 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.81 -44.42 96.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.284 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -70.06 -39.45 75.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.632 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.87 -47.88 83.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.57 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' NZ ' ' CG ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -66.03 -33.97 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.697 0.284 . . . . 0.0 110.856 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.64 95.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.56 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -60.86 -47.83 84.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.324 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.52 -38.31 86.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.038 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.47 -37.34 85.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.698 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -61.02 -46.78 89.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.59 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -60.29 -43.77 95.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.661 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -62.25 -44.22 97.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.962 0.411 . . . . 0.0 110.558 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -61.37 -43.37 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.561 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -59.63 -33.45 71.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 135.34 166.62 11.11 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.42 -8.16 86.61 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.13 42.88 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.585 -0.446 . . . . 0.0 110.606 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -98.85 106.62 18.9 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.139 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -169.53 159.4 8.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.826 0.345 . . . . 0.0 110.988 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -59.55 151.09 25.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.328 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.19 131.87 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.774 -179.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -56.18 138.78 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.422 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.596 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -90.91 -5.25 55.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.624 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -171.61 -111.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.566 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -137.31 88.03 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.944 0.402 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -74.16 -13.98 60.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.601 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.29 98.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.483 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.4 p -158.43 137.54 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.452 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -97.73 108.35 21.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.49 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -158.83 100.9 1.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.647 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -104.67 -49.01 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.41 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 88.04 -0.08 83.69 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.49 -40.88 96.17 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.24 83.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.263 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.56 152.63 11.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.206 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.721 ' O ' HG22 ' A' ' 57' ' ' VAL . 24.1 m -109.54 159.22 9.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.104 0.478 . . . . 0.0 111.162 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.7 m -69.11 -11.54 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.995 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.0 mmtm -61.19 -37.61 83.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.419 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 54' ' ' VAL . 33.6 m -52.85 -19.38 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.807 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.0 -43.27 95.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.217 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.85 -37.1 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.6 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.1 t -60.0 -43.72 95.03 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -62.85 -40.07 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.259 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.19 84.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.773 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.22 -38.74 84.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.405 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -60.25 -43.98 95.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 109.955 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.74 -48.28 82.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.842 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 99.2 p -64.86 -24.7 67.62 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.488 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 58.7 tp -62.12 -41.68 98.48 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.185 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.49 -40.15 93.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.427 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -71.83 -13.37 61.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.399 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.497 ' OD1' ' NH1' ' A' ' 83' ' ' ARG . 33.1 m120 50.49 46.5 25.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.864 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.47 -42.32 95.98 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.276 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -113.61 102.77 10.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.378 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.82 149.7 31.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.747 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.9 p -80.98 166.4 20.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.309 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.4 mt -74.3 -32.23 62.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.028 177.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -59.91 -40.1 87.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.025 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' O ' ' OD1' ' A' ' 81' ' ' ASP . 98.7 mttt -76.53 -59.24 2.86 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD23 HG21 ' A' ' 84' ' ' ILE . 1.2 mp -38.45 -69.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.715 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -57.51 -41.17 80.27 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.278 -178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.59 76.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.814 0.34 . . . . 0.0 110.74 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 11.5 m-20 -85.03 -5.62 59.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.788 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.09 15.8 80.92 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.497 ' NH1' ' OD1' ' A' ' 70' ' ' ASN . 77.2 mtp85 -68.97 -21.63 64.15 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 121.15 -0.22 . . . . 0.0 111.094 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.406 HG21 HD23 ' A' ' 78' ' ' LEU . 43.0 pt -125.91 158.64 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.916 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -73.95 145.73 44.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.772 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -86.22 -20.4 28.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.558 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.79 -39.99 93.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.327 -179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.29 -42.05 99.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.95 0.405 . . . . 0.0 110.436 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -39.0 91.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.329 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.18 -31.65 49.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 111.023 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.3 -40.96 71.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -59.05 -47.69 84.31 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.679 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -58.14 -54.04 51.49 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.566 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -57.47 -37.41 72.86 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.933 -0.307 . . . . 0.0 110.318 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -58.21 -49.48 76.91 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -61.8 -37.92 86.19 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.953 0.406 . . . . 0.0 110.234 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -57.15 -40.07 76.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.29 -179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.43 -37.29 82.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.066 0.46 . . . . 0.0 110.033 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -96.17 21.38 8.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.999 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.3 124.64 7.97 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -73.82 -14.56 79.94 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.37 92.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.662 0.268 . . . . 0.0 111.102 -179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -95.3 103.55 15.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.08 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.0 mmm-85 -54.13 -43.21 70.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.104 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -67.66 144.49 55.48 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.17 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.0 m -126.91 161.16 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.821 -179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 54.3 t30 45.12 -135.87 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.508 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.569 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 43' ' ' LYS . 16.6 tptp -144.18 139.11 28.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.3 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.505 ' O ' ' N ' ' A' ' 44' ' ' GLU . 99.1 mm-40 -88.67 -1.12 57.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.706 -179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.445 ' H ' ' HG3' ' A' ' 41' ' ' LYS . 9.5 tptm 62.85 -69.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 42' ' ' GLN . 5.7 mp0 -89.66 89.65 7.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.777 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.37 -39.47 87.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.58 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.5 m -127.97 161.04 36.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.254 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.97 135.29 57.74 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.51 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -80.57 150.83 29.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -60.67 -41.77 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.833 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.82 60.01 0.81 Allowed Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.78 -22.57 66.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.143 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.27 -38.63 84.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.57 144.64 36.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.487 ' CG2' HG23 ' A' ' 57' ' ' VAL . 25.2 m -55.63 137.64 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 111.026 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.14 -18.47 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.817 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.45 -39.44 87.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.677 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.487 HG23 ' CG2' ' A' ' 54' ' ' VAL . 56.3 t -61.36 -44.58 98.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.867 0.365 . . . . 0.0 110.186 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.4 t -62.44 -42.42 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.681 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -60.14 -40.56 90.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.967 -179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.0 p -64.93 -36.2 83.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.064 0.459 . . . . 0.0 110.351 179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.91 -36.71 84.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.762 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.36 87.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.447 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.47 -39.92 92.66 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.417 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.31 -43.97 95.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.629 -179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -63.95 -38.54 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.105 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.4 p -61.75 -36.31 80.63 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.774 -0.37 . . . . 0.0 110.448 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' O ' ' OD1' ' A' ' 70' ' ' ASN . 3.3 mm? -65.75 -37.49 86.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.352 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -62.42 -38.65 90.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.614 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -88.85 -7.17 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.417 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 67' ' ' LEU . 97.6 m-20 54.46 46.43 24.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.4 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.26 -38.89 88.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.458 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -91.34 134.51 34.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.382 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.676 ' HB1' ' HB2' ' A' ' 77' ' ' LYS . . . -150.41 150.74 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 77' ' ' LYS . 88.6 p -110.4 167.2 10.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.373 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.5 mp -40.03 -43.88 1.65 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.421 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.5 mmt85 -60.26 -39.88 88.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.779 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.676 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 33.4 mmtp -75.69 -53.78 8.01 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 tp -36.52 -40.84 0.27 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.282 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.7 -41.16 66.65 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.304 -0.558 . . . . 0.0 110.649 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -64.32 -21.1 66.5 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -75.83 -7.89 55.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.335 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.02 -0.29 79.57 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.788 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.37 -44.87 81.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.025 -0.67 . . . . 0.0 111.498 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -108.95 164.57 5.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.072 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 t -54.29 132.35 43.56 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.728 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -83.46 -29.93 27.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -61.23 -39.39 90.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.719 -178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.31 -43.08 99.47 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.102 -0.639 . . . . 0.0 110.659 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.26 96.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.342 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -61.34 -39.19 89.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.291 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.08 -41.61 83.79 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.529 -0.469 . . . . 0.0 110.826 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -65.15 -38.8 91.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 110.163 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.12 -8.99 50.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.956 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.67 -27.77 69.47 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.699 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.73 -49.34 77.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.558 179.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.83 -40.8 97.46 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.562 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -62.45 -39.78 94.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.36 -47.16 87.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.264 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -59.6 -35.96 75.35 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.458 ' O ' ' O ' ' A' ' 103' ' ' ASN . . . -69.05 -9.35 59.91 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.1 -19.75 57.28 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.86 -39.32 91.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.985 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' O ' ' O ' ' A' ' 100' ' ' GLY . 53.0 p30 -155.64 173.71 16.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.931 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -109.21 132.12 54.42 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.04 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -110.43 35.85 3.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.292 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 82.1 t -111.77 125.31 69.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.846 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.9 p30 -88.46 177.45 6.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.571 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.8 mttp 53.93 40.21 31.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.635 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -65.88 -26.92 67.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.732 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -154.64 134.64 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.241 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -76.67 135.76 39.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.879 0.371 . . . . 0.0 110.677 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.66 -0.84 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.504 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.01 164.35 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.656 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -59.22 147.05 36.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.44 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -62.62 142.82 57.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -92.4 2.42 56.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.333 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.0 34.56 61.78 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -60.27 -38.88 84.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.719 0.295 . . . . 0.0 110.291 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.73 88.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.108 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.78 145.62 55.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.2 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.59 ' CG1' HG23 ' A' ' 57' ' ' VAL . 4.6 p -50.41 126.59 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.729 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 9.4 p -65.5 -17.58 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.955 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.536 ' H ' HG22 ' A' ' 54' ' ' VAL . 58.3 tptt -59.9 -39.81 86.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.407 -179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.59 HG23 ' CG1' ' A' ' 54' ' ' VAL . 53.8 t -59.77 -46.37 93.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.41 -178.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 35.7 m -80.16 -19.56 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 111.062 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.66 -44.35 93.59 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.945 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.0 p -63.36 -37.58 87.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.184 0.516 . . . . 0.0 110.155 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -68.14 -38.11 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.188 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.91 95.09 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.715 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -74.15 -32.27 63.06 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.725 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.81 -44.6 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -60.4 -48.03 83.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.827 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.7 m -61.06 -42.33 98.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.136 -179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.36 -49.33 69.77 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.54 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.4 -42.45 96.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.143 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -77.39 -15.8 59.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.578 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 66' ' ' SER . 53.5 t-20 53.61 53.73 11.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.82 -39.22 88.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -129.3 106.66 8.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.715 0.293 . . . . 0.0 110.729 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.63 125.27 48.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.5 p -72.22 164.57 26.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.59 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 75' ' ' LEU . 4.5 tt -60.81 -46.94 88.55 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 37.5 ttp-105 -54.51 -48.67 71.61 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.165 -178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 78' ' ' LEU . 59.3 mtpt -62.7 -48.46 79.19 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 119.826 -0.75 . . . . 0.0 109.552 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 77' ' ' LYS . 1.7 mp -38.65 -70.48 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.055 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.525 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 24.5 tm0? -56.89 -38.71 73.17 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.784 -179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.27 66.86 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.1 t0 -94.56 2.91 55.66 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.485 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.2 14.07 82.96 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.92 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 77.1 mmt-85 -62.11 -39.6 93.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.877 0.338 . . . . 0.0 111.27 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.98 159.53 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-O 120.79 0.329 . . . . 0.0 110.396 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 88' ' ' GLN . 72.6 p -74.44 154.88 38.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.137 0.494 . . . . 0.0 111.274 -178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.525 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 99.6 mt-10 -92.89 -31.46 14.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.624 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.61 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.83 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 85' ' ' THR . 26.0 pt20 -57.66 -41.19 81.0 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.717 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.3 -41.32 94.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.036 0.446 . . . . 0.0 110.591 179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -67.58 -52.37 39.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.811 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.59 86.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.246 -179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -60.22 -42.32 94.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.839 0.352 . . . . 0.0 110.707 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -57.8 -41.67 82.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -49.62 -31.9 11.75 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.927 -179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.36 -48.19 79.68 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.4 -0.52 . . . . 0.0 109.735 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.75 -36.84 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.688 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -56.75 -37.48 71.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.611 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.21 -38.15 82.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.941 0.4 . . . . 0.0 110.114 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.1 m120 -92.38 8.91 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 67.03 24.52 73.18 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.814 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.38 -40.81 99.16 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -39.81 95.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.98 0.419 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.496 ' C ' ' H ' ' A' ' 105' ' ' LYS . 65.9 t30 -61.01 -32.31 71.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.343 -179.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 71.48 -18.18 0.3 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.707 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.496 ' H ' ' C ' ' A' ' 103' ' ' ASN . 72.3 mmtt -100.17 82.49 2.54 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.64 157.85 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.49 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -77.52 144.63 37.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.431 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.4 p30 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.616 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.401 ' O ' ' CB ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 40' ' ' THR . 10.1 tptp 73.87 9.83 4.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.516 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -64.54 -40.14 95.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp 57.45 -119.86 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.298 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -88.76 102.41 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.959 0.409 . . . . 0.0 110.532 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.62 -0.79 57.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.618 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.9 m -67.22 -17.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -88.07 115.34 25.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.397 . . . . 0.0 110.63 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.0 p30 -91.04 179.66 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -63.47 -38.86 92.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.214 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.47 -0.89 75.19 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -61.8 -41.14 97.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.898 0.38 . . . . 0.0 110.038 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.87 -22.85 64.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.74 142.33 34.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.336 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.599 HG12 ' H ' ' A' ' 56' ' ' LYS . 97.1 t -77.19 126.98 38.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.02 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.785 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.5 p -66.54 -25.13 34.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.222 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.599 ' H ' HG12 ' A' ' 54' ' ' VAL . 12.1 tptm -56.68 -28.02 59.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.382 -179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.5 p -48.02 -19.46 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.48 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.785 HG13 ' O ' ' A' ' 55' ' ' VAL . 35.7 m -55.3 -18.29 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -59.89 -40.03 87.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.758 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -62.28 -41.63 98.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.141 0.496 . . . . 0.0 110.064 179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -61.89 -37.21 83.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.6 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.377 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.07 -39.13 91.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.547 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.35 -41.06 92.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.076 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.514 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 91.7 t80 -58.62 -47.42 84.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.502 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 74.4 m -61.0 -39.43 89.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.71 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.92 -39.05 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.617 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -61.52 -38.45 87.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.716 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.514 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.9 mmtp -90.18 -2.07 58.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.398 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.5 t30 51.78 49.03 21.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.133 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.51 -41.49 97.38 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.548 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -117.62 106.09 12.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -115.15 121.86 44.28 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.667 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 82.8 p -74.13 171.14 14.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.9 tp -57.99 -48.25 80.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -57.09 -40.2 76.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.611 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 67.1 mmtt -64.47 -52.76 56.29 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 178.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mp -38.99 -63.39 0.53 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.018 -178.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.519 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.1 tm0? -57.95 -39.28 77.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -60.2 -35.36 75.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.107 0.48 . . . . 0.0 109.926 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 81' ' ' ASP . 51.4 t0 -88.33 3.45 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.271 179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.22 16.76 78.62 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -63.89 -31.78 73.08 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.392 0.145 . . . . 0.0 111.392 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.3 pt -126.05 160.0 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 120.898 0.38 . . . . 0.0 111.183 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.3 t -70.05 147.48 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.655 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.519 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 99.1 mt-10 -90.23 -18.6 25.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.66 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.98 -42.71 99.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.13 -39.2 93.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.814 0.34 . . . . 0.0 111.232 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.71 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.694 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -82.66 -28.41 30.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 110.4 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -39.44 80.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.818 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.4 t80 -58.99 -46.44 88.15 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.895 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.12 -47.86 81.98 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.421 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -59.08 -37.71 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 121.31 -0.156 . . . . 0.0 111.028 -179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -58.09 -49.16 77.91 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.992 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.447 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 67.2 m-80 -63.91 -38.78 92.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.208 0.528 . . . . 0.0 110.352 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.407 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 54.9 t0 -43.09 -28.27 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.496 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -60.3 -46.31 90.31 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.837 0.351 . . . . 0.0 110.53 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.447 ' OD1' ' O ' ' A' ' 96' ' ' ASN . 13.3 p-10 -93.06 5.35 51.8 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.245 179.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.38 8.25 54.93 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -88.4 4.77 85.24 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.5 92.01 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.456 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -152.37 173.59 14.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.552 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -115.2 66.35 0.69 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.544 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.02 2.54 56.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.623 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.28 -43.06 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.704 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.1 p30 -146.42 178.0 8.6 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.704 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.496 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -154.97 167.28 30.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.664 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -67.1 147.82 52.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.486 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -127.24 144.96 50.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.14 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -88.77 0.59 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.272 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -39.29 85.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.883 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 23.0 m -49.08 147.79 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.08 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -100.1 114.02 27.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.929 0.395 . . . . 0.0 111.231 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 54.1 t0 44.74 50.74 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.113 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -59.83 -46.33 89.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.543 ' HA2' ' HB3' ' A' ' 53' ' ' ALA . . . 82.19 0.38 89.63 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.73 84.96 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.656 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.32 -24.29 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.626 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.543 ' HB3' ' HA2' ' A' ' 50' ' ' GLY . . . -72.24 149.99 44.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.935 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG12 ' H ' ' A' ' 56' ' ' LYS . 59.6 t -96.34 132.43 40.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.725 ' O ' HG12 ' A' ' 58' ' ' VAL . 33.8 m -44.55 -36.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.198 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' H ' HG12 ' A' ' 54' ' ' VAL . 56.0 mtmt -65.5 -38.99 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.934 0.397 . . . . 0.0 111.04 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.547 ' O ' ' N ' ' A' ' 59' ' ' GLU . 61.6 t -61.88 -40.81 88.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.713 -179.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 55' ' ' VAL . 4.0 p -39.71 -21.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.131 -178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.547 ' N ' ' O ' ' A' ' 57' ' ' VAL . 98.4 mt-10 -61.42 -40.45 94.45 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 91.8 p -63.5 -36.78 84.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.055 0.455 . . . . 0.0 109.97 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -66.57 -28.16 68.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.527 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.47 -37.69 81.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.99 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -54.68 -25.4 26.89 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.401 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -61.0 -44.27 97.67 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -60.04 -47.77 84.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.55 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.08 -43.17 99.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.331 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 60.3 tp -60.95 -45.5 94.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.069 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.84 -37.71 88.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.593 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -68.88 -36.91 78.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.166 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 32.9 m120 58.56 50.47 9.09 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.555 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -60.65 -39.14 87.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.896 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -150.31 115.85 5.5 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.76 158.97 44.68 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.547 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.5 t -110.28 156.85 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.789 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.5 mp -66.04 -13.78 60.54 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.466 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.49 -35.76 30.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.416 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -64.76 -25.19 67.82 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.993 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 78' ' ' LEU . 96.6 mt -88.88 -44.1 10.71 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -52.02 -35.13 45.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.611 -178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.29 -41.12 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.251 -0.58 . . . . 0.0 109.478 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -76.27 -19.31 58.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.177 0.513 . . . . 0.0 109.674 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.83 15.15 81.18 Favored Glycine 0 CA--C 1.527 0.823 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.353 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.74 -39.74 95.05 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 121.075 -0.25 . . . . 0.0 111.395 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 39.4 pt -84.76 172.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.062 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 85' ' ' THR . 0.1 OUTLIER -74.54 129.97 38.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.703 -179.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -86.3 -13.43 46.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.061 179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -69.84 -33.2 71.97 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.202 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -67.62 -27.62 67.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.269 0.557 . . . . 0.0 110.015 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.13 89.82 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.217 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.467 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 2.6 mptp? -60.59 -41.58 95.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.02 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.23 -40.91 91.85 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.487 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.6 t80 -60.22 -46.88 88.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.293 179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -60.37 -38.48 84.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.953 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.74 -39.37 88.45 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.961 -0.295 . . . . 0.0 111.531 -179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -59.32 -41.32 88.8 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.667 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -60.98 -43.46 98.8 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.549 -0.46 . . . . 0.0 110.06 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.39 -46.55 89.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.56 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -63.14 -39.09 93.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.194 0.521 . . . . 0.0 109.938 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -75.57 -7.35 54.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.498 -0.773 . . . . 0.0 110.614 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -77.56 168.05 54.2 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -93.97 6.99 73.28 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.02 4.9 21.77 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.885 0.374 . . . . 0.0 110.485 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -73.2 133.56 44.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.185 -179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -70.5 160.97 31.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.713 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 107' ' ' ASN . 57.1 mtmt 51.88 -166.2 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.84 0.352 . . . . 0.0 110.642 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.5 t 47.63 12.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.657 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 105' ' ' LYS . 98.9 m-20 -72.96 -13.7 61.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.683 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.558 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 46.2 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -52.32 152.29 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.1 167.12 11.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.445 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 60.22 65.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.397 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.4 mp0 -62.69 164.34 7.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.176 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.11 87.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.912 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.6 t -117.45 124.69 73.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.818 0.342 . . . . 0.0 110.437 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.415 ' O ' ' OD1' ' A' ' 48' ' ' ASP . 55.7 p30 -85.42 179.03 7.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 47' ' ' ASN . 0.4 OUTLIER -173.62 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.336 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -61.74 -39.56 92.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.061 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.95 1.52 88.8 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -61.16 -42.03 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.95 84.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.38 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.76 143.75 24.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.482 HG12 ' H ' ' A' ' 56' ' ' LYS . 87.4 t -70.14 135.11 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.023 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.43 -39.78 84.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.21 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.482 ' H ' HG12 ' A' ' 54' ' ' VAL . 52.8 tptt -58.46 -39.4 79.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.306 -179.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.58 -42.1 90.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 0.0 111.149 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.12 -19.35 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.28 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -48.22 -20.31 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.666 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -61.26 -40.04 92.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 0.0 110.342 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -66.43 -28.03 68.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.305 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.53 83.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.964 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.07 -43.21 95.62 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.456 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 64' ' ' LEU . 8.0 mp -62.83 -39.34 94.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.425 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.524 ' OH ' ' NZ ' ' A' ' 69' ' ' LYS . 89.5 t80 -59.51 -48.48 81.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.8 t -61.56 -42.57 99.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.108 0.48 . . . . 0.0 110.423 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.91 -43.72 98.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.369 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.26 -42.35 98.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.524 ' NZ ' ' OH ' ' A' ' 65' ' ' TYR . 29.4 mmtp -85.2 -5.62 59.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.1 t30 54.86 49.58 17.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.162 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -83.85 0.84 45.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.759 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 72' ' ' ASP . 48.3 p-10 -160.14 130.9 5.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.031 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.55 ' HB3' HD12 ' A' ' 78' ' ' LEU . . . -157.0 158.53 36.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.161 0.505 . . . . 0.0 111.562 -179.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 39.8 t -82.9 159.95 22.22 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 60.8 tp -49.82 -45.81 50.47 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -60.06 -42.97 95.64 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.356 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 80' ' ' ALA . 98.7 mttt -67.84 -50.34 57.17 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 120.201 -0.6 . . . . 0.0 109.75 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -38.8 -44.34 1.02 Allowed 'General case' 0 CA--C 1.519 -0.219 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.753 -179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -62.46 -41.89 99.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.475 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 77' ' ' LYS . . . -77.09 -13.0 60.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.612 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -93.39 5.71 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.193 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.28 -0.94 78.31 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.081 -0.58 . . . . 0.0 112.222 178.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 8.1 mmp_? -65.0 -41.82 95.04 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.477 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 84' ' ' ILE . 37.3 pt -135.78 142.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 72.9 p -113.8 138.2 50.6 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.003 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.75 -40.84 96.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.7 mp0 -61.19 -43.56 98.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.574 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -66.51 -40.37 89.16 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.601 -0.439 . . . . 0.0 110.778 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.16 -48.31 82.27 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.504 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -54.16 -35.18 61.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.931 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.2 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.226 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.29 -47.48 85.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.286 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -59.89 -39.15 84.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.336 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.45 -38.39 80.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.552 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -57.57 -44.65 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -60.6 -42.39 96.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.468 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.458 ' OD1' ' CB ' ' A' ' 103' ' ' ASN . 34.4 t70 -58.73 -34.97 71.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.152 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -62.21 -5.48 2.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.716 0.293 . . . . 0.0 110.541 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.416 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 62.6 t-20 -62.0 -34.51 76.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.374 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.11 152.49 20.38 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.457 ' O ' ' O ' ' A' ' 104' ' ' ARG . . . -90.22 -1.41 75.57 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.27 91.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.267 0.556 . . . . 0.0 110.113 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.458 ' CB ' ' OD1' ' A' ' 97' ' ' ASP . 30.2 m120 -70.53 -36.36 73.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.64 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.499 ' NH1' ' ND2' ' A' ' 107' ' ' ASN . 17.3 ptm180 -156.79 175.42 14.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.712 -179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -75.43 -177.29 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.819 0.342 . . . . 0.0 110.443 179.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 107' ' ' ASN . 12.9 p -55.75 -38.76 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.574 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.499 ' ND2' ' NH1' ' A' ' 104' ' ' ARG . 55.5 t30 64.56 -68.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.76 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 106' ' ' VAL . 65.3 t0 . . . . . 0 C--O 1.219 -0.544 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -89.86 5.63 45.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.535 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.521 ' NE2' ' OE2' ' A' ' 44' ' ' GLU . 64.8 tt0 -59.94 -37.98 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.279 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.429 ' NZ ' ' OD1' ' A' ' 48' ' ' ASP . 23.9 mtpp 54.57 55.79 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.521 ' OE2' ' NE2' ' A' ' 42' ' ' GLN . 48.0 mm-40 -57.59 -102.05 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.839 0.352 . . . . 0.0 110.598 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.36 -2.31 57.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.048 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.22 127.1 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.963 0.411 . . . . 0.0 110.661 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -95.29 143.79 26.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.985 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' OD1' ' NZ ' ' A' ' 43' ' ' LYS . 98.8 m-20 -62.89 155.99 25.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.435 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -59.03 -40.23 84.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.975 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.36 44.17 5.05 Favored Glycine 0 CA--C 1.525 0.657 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.432 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.09 -38.83 87.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.39 84.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.002 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.18 158.31 7.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.321 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 57' ' ' VAL . 69.8 t -57.67 129.81 19.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.99 0.424 . . . . 0.0 110.862 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 83.4 t -80.17 -24.31 11.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.26 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -58.36 -42.68 87.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.843 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.459 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -62.71 -36.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.518 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.53 -41.81 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.651 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -59.79 -40.55 88.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.863 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 92.0 p -64.72 -37.17 86.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.071 0.462 . . . . 0.0 110.166 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.62 -37.6 88.14 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.75 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.27 -39.24 86.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.862 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.3 -43.95 95.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.169 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.47 -43.21 99.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.043 0.449 . . . . 0.0 109.966 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.61 -46.02 91.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 95.8 p -61.33 -23.78 65.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.585 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.27 -43.52 98.74 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -39.96 94.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.444 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -69.05 -22.73 64.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.464 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 63.7 t30 55.34 45.37 25.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.742 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.32 -38.44 89.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.626 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.56 105.7 16.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.225 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.13 99.72 10.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.966 0.412 . . . . 0.0 111.337 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.7 p -75.55 176.01 8.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.563 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.29 -49.02 75.43 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -52.52 -44.1 65.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.604 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 73.6 mmtt -62.61 -51.46 67.22 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.7 mp -39.02 -64.57 0.44 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.431 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -55.3 -37.72 67.72 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 77' ' ' LYS . . . -56.64 -26.59 56.41 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.252 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -95.85 2.19 53.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.155 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.95 15.88 79.89 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -62.97 -36.07 82.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.421 0.153 . . . . 0.0 111.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.1 pt -125.92 165.15 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.762 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.46 ' OG1' ' CG ' ' A' ' 88' ' ' GLN . 71.4 p -68.91 136.6 52.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.209 0.528 . . . . 0.0 111.324 -179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -72.69 -39.25 67.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.611 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.52 -39.55 93.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.796 -178.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' CG ' ' OG1' ' A' ' 85' ' ' THR . 98.2 mm-40 -62.18 -40.62 96.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.901 -178.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.9 85.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.023 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -80.52 -21.67 41.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.492 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.138 -178.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -59.02 -38.58 79.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 111.007 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.48 -45.15 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.557 -179.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -49.32 -25.81 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.624 0.249 . . . . 0.0 110.865 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -53.3 -47.53 69.13 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.503 -0.479 . . . . 0.0 110.11 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.549 ' OD1' ' N ' ' A' ' 97' ' ' ASP . 53.8 p30 -50.91 -23.19 2.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 111.037 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 96' ' ' ASN . 53.3 t0 -58.89 -21.21 57.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.26 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -59.86 -37.92 80.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.273 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -61.71 -33.82 74.7 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.9 -2.35 84.15 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.716 -0.953 . . . . 0.0 110.716 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -90.66 5.54 82.29 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.7 94.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.969 0.414 . . . . 0.0 110.434 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -47.29 -68.88 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.926 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 52.16 71.97 0.43 Allowed 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.257 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' VAL . 57.6 mtpt -90.45 -4.79 56.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.028 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' LYS . 0.8 OUTLIER 31.17 68.35 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 O-C-N 123.368 0.418 . . . . 0.0 111.695 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -85.2 179.84 7.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.463 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.7 t0 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.606 179.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -152.07 135.81 16.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.081 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -95.53 99.09 11.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.692 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -104.78 125.69 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.57 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -92.47 99.93 12.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.145 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.27 99.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.578 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 34.9 m -134.19 159.36 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.778 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -79.46 155.1 28.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.179 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 48' ' ' ASP . 13.8 p-10 -142.97 -65.72 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.75 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.474 ' H ' ' CG ' ' A' ' 48' ' ' ASP . 98.2 mttt -62.71 -39.94 95.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 66.13 25.38 72.2 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -62.15 -29.09 70.11 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.265 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.89 99.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.202 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -111.05 153.99 24.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 57' ' ' VAL . 99.8 t -93.42 119.63 41.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 120.495 -0.482 . . . . 0.0 110.405 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.1 t -80.4 -25.77 11.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.418 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -59.94 -39.68 86.35 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 54' ' ' VAL . 34.5 m -60.59 -39.01 80.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' N ' HG23 ' A' ' 57' ' ' VAL . 1.3 p -79.44 -29.26 13.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 120.013 -0.675 . . . . 0.0 111.832 -178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -60.55 -43.95 96.67 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.662 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.2 p -66.35 -35.44 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.168 0.509 . . . . 0.0 110.052 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -64.12 -37.45 87.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.893 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.4 96.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.544 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -64.26 -41.65 96.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.894 0.378 . . . . 0.0 110.194 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -64.99 -41.21 95.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.841 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -59.11 -49.02 79.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.882 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 91.5 p -65.65 -39.17 91.11 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.735 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.68 -45.43 90.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.773 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.39 -39.96 95.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.706 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -72.25 -22.58 61.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.746 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.9 t30 60.06 60.25 2.16 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.309 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.38 -38.08 79.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.692 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 73' ' ' ALA . 65.5 t0 -49.99 143.64 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' N ' ' OD1' ' A' ' 72' ' ' ASP . . . -48.08 110.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.198 0.523 . . . . 0.0 110.498 -178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 83.1 p -91.22 174.16 7.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.236 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.9 mt -82.46 -24.59 34.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.905 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 83.0 mtp180 -61.41 -40.51 94.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.011 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -79.41 -61.36 2.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.153 0.501 . . . . 0.0 109.986 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -38.73 -68.65 0.15 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.346 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.608 HE22 ' CB ' ' A' ' 89' ' ' ALA . 53.2 tt0 -55.51 -41.92 73.78 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.76 -178.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 76' ' ' ARG . . . -59.86 -37.41 79.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.461 -179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -81.59 -2.46 50.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 0.0 110.426 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.54 16.15 80.59 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.1 mmt85 -62.23 -38.07 87.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.6 pt -120.17 159.68 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.474 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -65.86 145.71 55.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.525 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -87.0 -33.96 19.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.368 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -57.67 -34.33 69.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.643 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -63.52 -43.38 97.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.145 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.608 ' CB ' HE22 ' A' ' 79' ' ' GLN . . . -63.04 -40.75 98.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -59.62 -38.34 81.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 -178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.78 -44.67 28.65 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.116 -0.634 . . . . 0.0 109.806 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -62.04 -47.13 86.1 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.487 0.66 . . . . 0.0 109.688 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.07 -12.34 26.03 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.377 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.51 -29.42 70.54 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 120.319 -0.553 . . . . 0.0 111.429 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -63.36 -42.95 98.92 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.413 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -64.83 -41.01 96.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.61 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.63 -38.67 88.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.351 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.48 -45.43 91.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.42 -179.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.444 ' O ' ' OD1' ' A' ' 99' ' ' ASN . 19.0 t-20 -88.76 -3.8 58.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.992 0.425 . . . . 0.0 110.282 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 89.18 157.06 32.49 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.07 -40.3 98.74 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.98 -17.28 23.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.605 0.24 . . . . 0.0 111.234 -178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -60.69 -44.69 96.24 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.918 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.37 160.41 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.376 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm 38.92 -153.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.498 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.95 150.85 20.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.418 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 108' ' ' ASP . 30.5 m120 56.71 29.93 16.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.958 179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 107' ' ' ASN . 94.2 m-20 . . . . . 0 C--O 1.219 -0.546 0 CA-C-O 117.923 -1.037 . . . . 0.0 111.173 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 45.7 m . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -91.76 126.03 36.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 52.89 -165.76 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.381 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -151.47 158.6 43.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.915 0.388 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -72.91 147.63 45.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.622 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.84 -39.54 92.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.312 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.668 HG22 ' N ' ' A' ' 47' ' ' ASN . 14.6 p -94.24 172.47 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.668 ' N ' HG22 ' A' ' 46' ' ' VAL . 54.0 p30 -76.73 -179.62 5.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.469 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -168.36 156.35 8.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.988 0.423 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -75.51 5.08 6.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.348 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.45 7.13 52.21 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.92 -39.62 90.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.113 0.482 . . . . 0.0 110.085 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.91 -32.73 69.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.558 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.38 141.1 12.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.279 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 57' ' ' VAL . 93.2 t -87.45 123.29 40.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.46 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.64 -40.44 89.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.587 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.91 -18.9 61.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.02 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 54' ' ' VAL . 9.8 p -48.83 -24.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.898 0.38 . . . . 0.0 110.33 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 p -56.28 -21.61 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.059 0.457 . . . . 0.0 110.352 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.88 -35.48 76.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.836 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 93.7 p -59.16 -32.4 69.85 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.189 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -62.84 -40.72 98.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.086 0.47 . . . . 0.0 109.918 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.43 -37.29 82.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.932 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -59.59 -36.04 75.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.018 -179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.09 -40.28 89.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.251 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -67.85 -35.81 79.21 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.89 0.376 . . . . 0.0 110.325 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 70' ' ' ASN . 75.4 m -61.79 -37.64 85.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.314 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.52 -39.72 84.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.786 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -60.16 -38.15 82.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.796 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -94.35 -20.67 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.045 0.45 . . . . 0.0 109.869 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.527 ' N ' ' O ' ' A' ' 66' ' ' SER . 55.1 t30 51.43 24.85 2.35 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.816 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 42.83 17.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.902 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASN . 29.5 t0 -161.2 161.39 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.519 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.532 ' HB3' HD11 ' A' ' 78' ' ' LEU . . . -143.78 145.98 32.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.291 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.825 ' O ' HD13 ' A' ' 78' ' ' LEU . 41.8 t -63.77 -170.61 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.206 0.527 . . . . 0.0 111.222 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' N ' ' OG ' ' A' ' 74' ' ' SER . 7.5 mp -90.48 -41.96 11.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.782 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -60.72 -43.77 97.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.94 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 81' ' ' ASP . 57.4 mtmt -64.55 -52.73 56.18 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.667 -0.813 . . . . 0.0 108.914 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.825 HD13 ' O ' ' A' ' 74' ' ' SER . 3.4 mp -39.95 -59.9 1.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.858 -179.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -60.98 -41.71 96.96 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.61 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.97 -21.32 63.26 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.591 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.538 ' N ' ' O ' ' A' ' 77' ' ' LYS . 96.9 m-20 -93.79 5.74 50.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.315 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.1 1.96 88.36 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.675 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -63.01 -39.93 96.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.65 -0.42 . . . . 0.0 109.942 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 43.1 pt -135.45 140.18 45.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.056 178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.667 ' H ' HE21 ' A' ' 88' ' ' GLN . 71.0 p -115.14 131.61 56.87 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.637 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.106 0.479 . . . . 0.0 109.855 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.2 -41.25 96.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.385 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.667 HE21 ' H ' ' A' ' 85' ' ' THR . 2.6 pt20 -89.47 -19.93 24.5 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.993 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.68 -46.3 89.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.733 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.518 ' N ' ' CD ' ' A' ' 90' ' ' LYS . 0.6 OUTLIER -74.84 -21.11 59.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 110.757 179.621 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.89 97.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -60.11 -48.07 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.14 -40.78 95.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.967 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -36.31 83.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.655 0.265 . . . . 0.0 111.387 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -64.11 -38.46 91.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.72 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.78 -40.67 96.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -64.54 -44.0 92.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.539 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.54 -42.87 99.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.753 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.1 -30.46 71.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.446 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.63 5.47 88.26 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.24 -7.34 67.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.25 -39.22 86.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.668 0.27 . . . . 0.0 110.615 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -79.88 108.02 13.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.95 0.405 . . . . 0.0 110.561 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.557 ' O ' ' N ' ' A' ' 106' ' ' VAL . 99.8 mtt180 -131.72 161.33 33.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.501 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 21.7 pttm -60.07 69.14 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 121.14 0.495 . . . . 0.0 111.103 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.557 ' N ' ' O ' ' A' ' 104' ' ' ARG . 72.7 t -70.16 -40.28 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.545 178.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 53.2 p30 -77.83 -173.15 2.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.717 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.596 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -70.95 -28.16 64.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.344 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -71.05 -25.41 62.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.419 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.2 mttm 58.41 36.03 25.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.371 -179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.11 150.63 40.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.225 179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.71 27.48 1.75 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.859 0.361 . . . . 0.0 110.472 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.49 -26.83 32.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.9 p30 -79.79 -179.77 7.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.208 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 49' ' ' LYS . 65.8 t0 -60.56 136.52 58.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.002 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.5 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 98.9 mttt -71.88 -11.63 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.703 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.19 24.41 8.98 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.755 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.99 -5.53 44.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.463 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.71 82.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.3 142.65 42.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.481 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.655 ' O ' HG12 ' A' ' 57' ' ' VAL . 27.2 m -111.75 160.79 10.88 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.139 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.877 -179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.73 ' O ' HG22 ' A' ' 58' ' ' VAL . 34.3 m -65.81 -21.68 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.831 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -62.86 -31.53 72.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.437 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 54' ' ' VAL . 7.6 p -49.06 -21.42 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.75 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 55' ' ' VAL . 31.0 m -60.83 -18.84 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.606 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 98.3 mt-10 -61.46 -39.12 89.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.789 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 47.6 t -60.93 -42.07 97.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.397 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -63.41 -28.61 70.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.326 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 59' ' ' GLU . . . -60.71 -39.36 88.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.555 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -61.9 -39.2 91.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.384 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.5 tp -60.7 -41.13 94.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.142 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -59.04 -47.2 86.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.645 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.3 m -60.91 -39.6 90.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.228 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.9 -43.44 98.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.849 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.69 -39.16 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -68.86 -18.62 64.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.182 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 56.32 40.75 29.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.601 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -84.09 58.06 4.54 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -80.26 166.89 20.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.023 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.83 158.06 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.526 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.458 ' H ' ' CE ' ' A' ' 77' ' ' LYS . 38.1 t -84.31 171.32 12.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.04 179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -75.02 -17.58 60.48 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.453 179.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -85.61 -34.5 21.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.729 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.458 ' CE ' ' H ' ' A' ' 74' ' ' SER . 56.0 mtmt -70.71 -19.82 62.72 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.52 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.0 mt -90.66 -45.89 8.6 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.6 tm0? -52.93 -36.48 59.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.904 -178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.24 -39.37 86.5 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 119.971 -0.691 . . . . 0.0 109.251 178.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -73.86 -24.32 59.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.63 178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.21 17.42 80.01 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 mtp180 -63.08 -39.89 96.06 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.463 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 26.1 pt -57.29 168.43 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.34 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.621 HG23 ' H ' ' A' ' 88' ' ' GLN . 8.8 t -61.3 143.83 54.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.292 0.568 . . . . 0.0 111.248 -179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.65 -37.49 86.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.014 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.4 -39.82 84.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.504 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.621 ' H ' HG23 ' A' ' 85' ' ' THR . 72.1 tp60 -62.24 -40.03 94.83 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.701 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.57 -41.37 94.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.027 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -59.81 -43.3 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.322 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.98 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.021 0.438 . . . . 0.0 110.124 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -60.15 -47.51 85.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.594 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -60.55 -41.29 94.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.232 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.57 -39.1 93.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.0 0.429 . . . . 0.0 110.452 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.498 ' CE2' ' ND2' ' A' ' 99' ' ' ASN . 89.5 t80 -59.09 -46.55 88.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.683 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.42 -41.85 94.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.397 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -61.11 -41.61 97.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.719 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -65.14 -22.14 66.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.498 ' ND2' ' CE2' ' A' ' 95' ' ' TYR . 98.8 m-20 -87.21 -3.81 59.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.681 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.68 120.01 5.03 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -95.5 2.58 65.15 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.74 99.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.061 0.458 . . . . 0.0 110.15 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 54.5 t30 55.23 -178.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.175 -179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -102.14 -90.19 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.492 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -160.63 24.77 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.832 0.349 . . . . 0.0 110.713 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.536 HG22 ' H ' ' A' ' 108' ' ' ASP . 10.3 p -137.74 138.81 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.768 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.536 ' H ' HG22 ' A' ' 106' ' ' VAL . 65.8 t0 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.579 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -133.48 141.32 47.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.298 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -131.79 122.22 25.43 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.648 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -75.13 -12.2 60.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.582 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' A' ' 46' ' ' VAL . 77.7 mm-40 56.12 66.29 1.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.0 110.18 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.12 29.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.229 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.511 ' H ' ' C ' ' A' ' 44' ' ' GLU . 33.9 m -102.23 8.0 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.959 0.409 . . . . 0.0 109.992 179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -70.13 157.68 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.861 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -89.16 0.76 56.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.513 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -61.13 -39.43 90.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.296 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.56 3.3 88.48 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -60.71 -42.7 97.74 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.03 -38.64 86.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.66 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.52 141.84 46.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.712 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.634 ' O ' HG12 ' A' ' 57' ' ' VAL . 94.4 t -110.59 131.42 61.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.603 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.39 -41.81 88.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -62.86 -21.64 66.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.967 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 54' ' ' VAL . 4.1 p -50.3 -19.87 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 0.0 110.192 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.41 -43.12 93.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.939 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -59.78 -41.98 92.34 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.698 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.1 m -64.4 -39.69 94.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.132 0.492 . . . . 0.0 109.689 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -62.04 -37.11 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.628 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.91 91.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.394 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -61.53 -42.19 98.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.104 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.2 tp -61.11 -40.98 95.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.262 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.98 -47.64 84.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.228 -179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 70' ' ' ASN . 74.3 m -60.26 -42.34 95.15 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.959 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.75 -38.9 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.916 0.389 . . . . 0.0 110.336 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -61.83 -41.26 97.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.137 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -89.48 -11.2 43.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 71' ' ' GLU . 53.9 t30 50.92 18.72 0.55 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.866 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' ASN . 78.4 mm-40 36.17 -114.8 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.331 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -150.66 92.63 1.86 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.99 149.38 25.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.083 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.8 t -79.99 164.53 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.846 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -62.3 -41.11 98.23 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -68.03 -39.32 83.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.997 0.427 . . . . 0.0 110.759 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -68.23 -19.42 64.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.596 -179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 78' ' ' LEU . 92.3 mt -91.01 -59.19 2.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 177.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.411 ' HG2' HD11 ' A' ' 84' ' ' ILE . 97.8 mt-30 -56.68 -36.19 69.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.706 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -39.8 84.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -81.46 -28.52 34.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.368 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.16 76.1 Favored Glycine 0 CA--C 1.525 0.707 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.554 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 76.6 mtp85 -63.56 -44.95 92.63 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.04 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.411 HD11 ' HG2' ' A' ' 79' ' ' GLN . 26.3 pt -61.71 -179.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.032 0.444 . . . . 0.0 111.361 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -48.42 135.15 14.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.647 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -68.06 -39.88 82.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.19 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -62.07 -39.82 93.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.351 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.04 -40.03 94.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.771 0.319 . . . . 0.0 110.691 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.23 87.34 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.768 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -44.97 93.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.896 -179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.97 -41.13 97.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.005 0.431 . . . . 0.0 110.199 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -60.29 -48.36 82.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.604 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.1 tptp -61.45 -41.94 97.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.418 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.62 -38.61 91.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.98 0.419 . . . . 0.0 110.461 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.503 ' CZ ' ' OD1' ' A' ' 99' ' ' ASN . 91.4 t80 -60.78 -46.34 90.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.48 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -61.84 -40.99 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.516 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -63.49 -45.55 90.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -61.3 -44.71 96.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.584 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.503 ' OD1' ' CZ ' ' A' ' 95' ' ' TYR . 32.7 m120 -71.43 -19.94 62.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 64.95 -173.19 18.93 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.57 4.97 31.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.139 -1.184 . . . . 0.0 110.139 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.78 -44.29 90.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.016 0.436 . . . . 0.0 110.407 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 58.19 15.04 3.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.335 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -106.83 -30.88 8.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 -179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.576 ' C ' HG23 ' A' ' 106' ' ' VAL . 57.4 mtpt -84.49 154.71 22.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.982 -179.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.576 HG23 ' C ' ' A' ' 105' ' ' LYS . 2.1 t 73.47 52.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.972 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -95.17 16.49 16.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.04 0.448 . . . . 0.0 110.163 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.961 -1.019 . . . . 0.0 110.509 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.16 -40.59 96.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.3 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -71.69 -15.98 62.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.419 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.4 tptt 40.06 -144.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.292 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -140.73 129.46 22.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.344 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.24 -40.47 96.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 83.9 t -109.43 122.89 64.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 111.275 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -85.33 162.0 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.259 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -56.67 135.77 55.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -96.29 -4.57 41.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.542 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.63 7.29 66.93 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -100.16 24.46 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.907 0.384 . . . . 0.0 110.08 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.29 -23.35 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.696 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.77 140.23 42.67 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.017 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 56' ' ' LYS . 95.4 t -72.1 139.23 20.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.257 0.551 . . . . 0.0 111.078 -179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' ' 55' ' ' VAL . 7.2 p -51.01 -9.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.466 -0.788 . . . . 0.0 112.064 -179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' H ' HG12 ' A' ' 54' ' ' VAL . 23.3 pttp -49.52 -27.97 4.97 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.873 -179.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.62 -46.33 96.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.088 0.47 . . . . 0.0 109.879 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.4 t -64.47 -40.6 89.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.676 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.87 -39.86 90.76 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.571 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.4 m -61.96 -40.07 94.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.017 0.437 . . . . 0.0 110.485 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -65.82 -29.5 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.54 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.68 -9.73 51.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.766 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.0 -42.31 99.02 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.707 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -61.89 -41.01 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.405 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.58 -48.95 79.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.369 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -63.96 -39.19 93.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.739 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.03 -46.24 90.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.761 -179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.34 -40.61 97.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.984 0.421 . . . . 0.0 110.243 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -68.36 -40.35 81.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.274 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 72' ' ' ASP . 53.8 t30 51.7 24.98 2.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.079 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 39.91 21.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.124 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 70' ' ' ASN . 97.3 m-20 -96.2 138.92 33.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 111.511 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.11 154.28 42.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.233 179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.418 ' H ' ' HE3' ' A' ' 77' ' ' LYS . 43.7 t -85.45 161.59 19.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.106 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.75 -17.83 62.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.355 179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -84.05 -37.06 22.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.951 0.405 . . . . 0.0 110.416 179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' HE3' ' H ' ' A' ' 74' ' ' SER . 56.4 mtmt -70.73 -18.91 62.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.363 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -90.03 -57.57 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.451 ' NE2' ' OE2' ' A' ' 86' ' ' GLU . 23.6 tm0? -49.28 -26.29 2.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.74 -179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.09 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.58 -16.64 61.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.307 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.32 6.76 80.74 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.392 -0.683 . . . . 0.0 111.392 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -63.43 -35.7 81.29 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 121.182 -0.207 . . . . 0.0 111.382 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 pt -117.33 157.86 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.32 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 71.2 p -79.46 158.04 27.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.159 -179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.451 ' OE2' ' NE2' ' A' ' 79' ' ' GLN . 51.6 mp0 -81.03 -36.94 29.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.705 179.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -68.06 -37.66 81.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.493 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.9 tm0? -65.06 -41.0 95.53 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.9 -37.12 81.1 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.131 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -82.79 -25.89 32.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.023 0.439 . . . . 0.0 110.214 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.76 84.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.992 -178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.34 -46.9 87.35 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.917 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -58.58 -47.72 83.35 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.43 -39.01 85.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.656 0.265 . . . . 0.0 111.269 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -58.37 -49.05 78.62 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.322 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.411 HD21 ' CA ' ' A' ' 101' ' ' GLY . 50.1 t30 -61.57 -42.79 99.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.253 0.549 . . . . 0.0 110.181 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 97' ' ' ASP . 60.1 t0 -45.15 -31.72 1.55 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.642 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -61.84 -38.93 90.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.91 0.386 . . . . 0.0 110.2 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -98.83 13.55 32.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.502 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 41.63 46.31 4.69 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.411 ' CA ' HD21 ' A' ' 96' ' ' ASN . . . -61.08 -23.81 62.25 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.99 -66.11 0.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.614 -0.434 . . . . 0.0 109.902 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 64.8 t30 54.26 49.65 18.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.229 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 59.98 -170.84 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.645 -179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -129.97 10.83 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.977 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.559 HG13 ' N ' ' A' ' 107' ' ' ASN . 7.4 p -52.34 -44.04 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.456 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.559 ' N ' HG13 ' A' ' 106' ' ' VAL . 29.2 t-20 -82.39 118.35 23.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.084 0.469 . . . . 0.0 110.692 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 65.8 t0 . . . . . 0 C--N 1.325 -0.466 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.608 179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' HE2' ' H ' ' A' ' 45' ' ' ALA . 26.1 pttm -162.72 147.63 11.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.041 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -79.54 -14.49 58.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -61.75 -42.4 98.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.345 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 52.18 67.16 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.314 -179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' H ' ' HE2' ' A' ' 41' ' ' LYS . . . -58.77 -38.61 78.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.875 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.95 154.93 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.761 0.315 . . . . 0.0 110.384 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -81.84 -179.33 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.059 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 p30 -150.67 168.24 24.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.601 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -103.61 5.84 36.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.787 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' A' ' 53' ' ' ALA . . . 75.98 21.6 75.91 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm -61.63 -39.23 90.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.576 0.226 . . . . 0.0 110.896 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.71 94.35 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.63 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 50' ' ' GLY . . . -110.88 115.43 29.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.381 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.554 HG23 ' HB ' ' A' ' 57' ' ' VAL . 2.6 m -110.76 119.76 60.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.952 0.406 . . . . 0.0 111.08 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.643 ' O ' HG22 ' A' ' 58' ' ' VAL . 69.9 t -66.0 -41.89 90.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.323 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -58.87 -15.9 14.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.982 -178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.554 ' HB ' HG23 ' A' ' 54' ' ' VAL . 9.0 p -49.27 -34.46 7.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.587 -179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 55' ' ' VAL . 33.6 m -78.33 -32.35 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.692 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.31 -40.28 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.864 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 89.3 p -62.41 -39.29 92.79 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.502 -0.479 . . . . 0.0 109.973 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -68.6 -35.67 77.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.283 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.25 94.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.744 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.2 mm-40 -63.36 -39.58 94.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.371 -179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.08 -46.28 90.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.806 0.336 . . . . 0.0 110.397 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.66 -48.58 81.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.885 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.0 m -63.2 -39.34 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.37 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.84 -50.64 2.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.255 -178.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.25 -41.33 99.04 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -66.4 -41.5 89.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.102 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 72' ' ' ASP . 27.6 t-20 53.25 23.13 3.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.363 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 39.68 27.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.12 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ASN . 68.2 m-20 -123.16 130.8 53.25 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.823 0.344 . . . . 0.0 111.05 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.77 142.74 44.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.833 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.3 p -80.49 170.09 16.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.593 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 75' ' ' LEU . 10.9 mp -65.7 -20.45 66.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.112 179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.54 -28.8 30.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.036 0.446 . . . . 0.0 109.995 179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -67.98 -28.79 67.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.7 mt -90.3 -48.18 7.3 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -56.05 -33.64 65.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.34 -0.846 . . . . 0.0 111.086 -178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.28 87.47 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 119.983 -0.687 . . . . 0.0 109.405 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.99 -10.05 59.24 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.61 14.84 77.29 Favored Glycine 0 CA--C 1.524 0.594 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 84.0 mmt-85 -61.67 -39.38 91.19 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.2 pt -122.82 160.19 25.65 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.231 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.477 HG23 ' H ' ' A' ' 88' ' ' GLN . 9.4 t -70.93 150.13 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.626 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -81.77 -28.4 33.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.502 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.3 -38.7 84.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.812 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.477 ' H ' HG23 ' A' ' 85' ' ' THR . 64.9 tt0 -59.86 -42.84 94.57 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.7 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.26 -39.67 93.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.854 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -60.81 -37.32 81.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.14 -43.15 87.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.561 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -62.08 -46.81 87.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.338 0.589 . . . . 0.0 109.686 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -60.34 -24.72 65.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.502 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.6 -34.23 76.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.93 0.395 . . . . 0.0 110.439 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.517 ' CE2' ' ND2' ' A' ' 99' ' ' ASN . 90.3 t80 -58.81 -46.27 88.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.398 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.28 -40.52 86.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.504 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.33 -41.6 93.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.588 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.52 -40.17 90.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.099 0.476 . . . . 0.0 109.957 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' ND2' ' CE2' ' A' ' 95' ' ' TYR . 68.3 m-80 -69.75 -9.52 54.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.628 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 132.57 161.1 9.83 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.3 -40.37 98.52 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.64 -70.54 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 65.8 t30 55.38 51.58 12.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' O ' ' O ' ' A' ' 105' ' ' LYS . 91.8 mtm180 -59.78 149.15 31.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.044 -179.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.439 ' O ' ' O ' ' A' ' 104' ' ' ARG . 99.4 mttt -31.69 -99.32 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.737 -179.131 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.3 t -71.61 -44.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.625 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 104' ' ' ARG . 98.6 m-20 -72.13 150.69 43.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.407 -179.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.462 179.75 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 43' ' ' LYS . 2.3 m . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.43 -44.2 95.26 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.261 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -72.26 -37.1 69.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.469 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 40' ' ' THR . 98.8 mttt -133.67 145.31 49.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.315 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -121.02 134.03 55.28 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.459 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.3 89.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.3 t -99.08 91.68 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.76 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -101.82 110.49 22.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.51 179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -98.37 101.95 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.68 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -90.78 -14.33 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.357 . . . . 0.0 110.366 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.55 19.53 73.53 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -61.11 -39.08 88.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.384 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.74 -39.75 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.227 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.8 143.18 58.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 56' ' ' LYS . 94.6 t -73.92 138.85 20.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.143 0.496 . . . . 0.0 110.743 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 55' ' ' VAL . 11.4 p -49.08 -8.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.987 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.553 ' H ' HG12 ' A' ' 54' ' ' VAL . 26.3 pttm -52.82 -14.86 0.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.944 -0.302 . . . . 0.0 111.039 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.8 t -59.82 -46.0 94.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.242 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 55' ' ' VAL . 9.3 m -75.33 -25.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.879 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.99 -42.35 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.062 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 75.7 m -65.5 -40.41 93.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.067 0.46 . . . . 0.0 110.288 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 65' ' ' TYR . 1.1 tm0? -63.89 -36.05 82.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.33 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.53 -38.12 83.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.88 -37.85 83.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.643 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.1 tp -59.53 -45.54 91.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.313 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 61' ' ' GLN . 21.3 m-85 -64.18 -39.47 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.01 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 70' ' ' ASN . 92.6 p -62.37 -36.67 83.01 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.586 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' O ' ' ND2' ' A' ' 70' ' ' ASN . 60.7 tp -62.07 -46.47 88.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.205 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -64.36 -40.65 96.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.445 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -76.89 -28.12 55.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.736 179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.529 ' ND2' ' O ' ' A' ' 67' ' ' LEU . 33.0 m120 58.62 21.86 9.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.905 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 43.48 34.69 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.552 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -158.96 160.14 35.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.609 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.65 144.47 56.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.952 0.406 . . . . 0.0 110.714 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.414 ' H ' ' HD2' ' A' ' 77' ' ' LYS . 81.6 p -83.48 173.77 11.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.194 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.8 mt -62.77 -37.46 86.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.83 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -67.78 -39.78 84.06 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.296 -0.561 . . . . 0.0 109.58 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' HD2' ' H ' ' A' ' 74' ' ' SER . 68.7 mttm -70.43 -21.22 62.84 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.464 -179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.2 mt -91.1 -63.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -48.85 -38.73 23.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.562 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -39.38 90.54 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.218 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -70.57 -23.69 62.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.015 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.71 5.96 58.5 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 121.153 -0.546 . . . . 0.0 112.484 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.75 -36.89 84.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.947 0.373 . . . . 0.0 111.523 179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.3 pt -115.97 155.17 17.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-O 120.834 0.349 . . . . 0.0 110.989 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 p -79.31 160.32 26.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.736 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 45.5 mp0 -90.44 -40.49 12.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.958 179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -62.71 -35.15 78.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.919 -178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.4 -43.78 98.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.235 -0.586 . . . . 0.0 110.938 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.48 -36.64 83.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.168 0.509 . . . . 0.0 110.459 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -73.64 -50.87 18.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.76 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.22 84.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 -179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -59.37 -44.74 92.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.0 0.429 . . . . 0.0 110.607 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -58.06 -40.75 81.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.58 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.463 ' O ' ' OD1' ' A' ' 97' ' ' ASP . 98.5 mt-10 -58.58 -36.3 73.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.018 -179.003 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.06 -44.78 67.73 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.492 -179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 98' ' ' LYS . 28.2 m120 -61.94 -38.45 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.437 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -41.12 -19.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.042 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.533 ' N ' ' O ' ' A' ' 96' ' ' ASN . 0.0 OUTLIER -59.45 -18.64 41.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.737 -179.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -104.47 -3.56 23.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.225 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.49 -174.49 40.17 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -92.45 7.64 77.66 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.36 90.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.586 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -73.62 -179.72 3.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.989 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -65.43 152.13 44.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.218 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -111.45 147.08 36.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.596 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.5 t -102.88 -57.44 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -105.37 -18.17 14.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.689 -179.886 . . . . . . . . 0 0 . 1 stop_ save_